MiMeDB: Showing metabocard for Thermospermine (MMDBc0010742)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:50:03 UTC

Update Date

2025-10-07 16:05:47 UTC

Metabolite ID

MMDBc0010742

Metabolite Identification

Common Name

Thermospermine

Description

Thermospermine is a polyamine metabolite belonging to the chemical class of aliphatic amines. It plays a significant role in plant biology, particularly in the regulation of xylem formation in Arabidopsis thaliana. Research indicates that thermospermine negatively regulates xylem differentiation by modulating the translation of mRNAs associated with the SAC51 gene family, which is crucial for proper xylem development (PMID:40946342 ). The balance between SAC51 and LHW family proteins is essential for the plant's response to thermospermine, as overaccumulation of SAC51 proteins leads to hypersensitivity to thermospermine, thereby repressing LHW protein function (PMID:40963835 ). Furthermore, the presence of an upstream open-reading-frame (uORF) in these mRNAs is conserved across species and its inhibitory effect on main ORF translation is alleviated by thermospermine (PMID:40963835 ). Mutations affecting uORFs in SAC51, SACL3, and SACL1 result in suppressed excessive xylem formation and dwarf phenotypes in thermospermine-deficient mutants, highlighting the complex regulatory mechanisms involved (PMID:40963835 ). Overall, thermospermine serves as a critical regulator of xylem development, influencing various genetic pathways in Arabidopsis thaliana.

Structure

MOL SDF PDB SMILES InChI

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
CONECT    1    2    5                                                       
CONECT    2    1    7                                                       
CONECT    3    6    8                                                       
CONECT    4    9   10                                                       
CONECT    5    1   11                                                       
CONECT    6    3   12                                                       
CONECT    7    2   13                                                       
CONECT    8    3   14                                                       
CONECT    9    4   13                                                       
CONECT   10    4   14                                                       
CONECT   11    5                                                            
CONECT   12    6                                                            
CONECT   13    7    9                                                       
CONECT   14    8   10                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

Synonyms

Value	Source
1,12-Diamino-4,8-diazadodecane	ChEBI
N1-(3-(3-Aminopropylamino)propyl)butane-1,4-diamine	ChEBI

Molecular Formula

C₁₀H₂₆N₄

Average Mass

202.3402

Monoisotopic Mass

202.215746852

IUPAC Name

(4-aminobutyl)({3-[(3-aminopropyl)amino]propyl})amine

Traditional Name

thermospermine

CAS Registry Number

Not Available

SMILES

NCCCCNCCCNCCCN

InChI Identifier

InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2

InChI Key

DODDBCGMRAFLEB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Dialkylamines

Alternative Parents

Substituents

Secondary aliphatic amine
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

tetraamine (CHEBI:59564 )
polyazaalkane (CHEBI:59564 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	2.24 g/L	ALOGPS
logP	-0.69	ALOGPS
logP	-1.5	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Basic)	11.08	ChemAxon
Physiological Charge	4	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	76.1 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	62.56 m³·mol⁻¹	ChemAxon
Polarizability	26.37 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	537.1
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	561.1
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	46.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	232.8
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	307.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	247.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	290.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (retained)	2025-10-23	1373.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	314.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	157.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (retained)	2025-10-23	943.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	172.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	53.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	398.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	1366.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	60.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	289.9
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	463.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	520.3

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Thermospermine_TMS_1	C[Si](C)(C)NCCCCNCCCNCCCN	standard non polar	2025-10-23	2051.64
Gas Chromatography	Thermospermine_TMS_2	C[Si](C)(C)NCCCNCCCNCCCCN	standard non polar	2025-10-23	1819.43
Gas Chromatography	Thermospermine_TMS_3	C[Si](C)(C)N(CCCCN)CCCNCCCN	standard non polar	2025-10-23	1947.13
Gas Chromatography	Thermospermine_TMS_4	C[Si](C)(C)N(CCCN)CCCNCCCCN	standard non polar	2025-10-23	1924.88
Gas Chromatography	Thermospermine_TMS_5	C[Si](C)(C)NCCCCNCCCNCCCN[Si](C)(C)C	standard non polar	2025-10-23	2165.26
Gas Chromatography	Thermospermine_TMS_6	C[Si](C)(C)N(CCCCNCCCNCCCN)[Si](C)(C)C	standard non polar	2025-10-23	2059.47
Gas Chromatography	Thermospermine_TMS_7	C[Si](C)(C)NCCCCN(CCCNCCCN)[Si](C)(C)C	standard non polar	2025-10-23	2224.45
Gas Chromatography	Thermospermine_TMS_8	C[Si](C)(C)NCCCCNCCCN(CCCN)[Si](C)(C)C	standard non polar	2025-10-23	1813.38
Gas Chromatography	Thermospermine_TMS_9	C[Si](C)(C)N(CCCNCCCNCCCCN)[Si](C)(C)C	standard non polar	2025-10-23	2621.01
Gas Chromatography	Thermospermine_TMS_10	C[Si](C)(C)NCCCN(CCCNCCCCN)[Si](C)(C)C	standard non polar	2025-10-23	1667.71
Gas Chromatography	Thermospermine_TMS_11	C[Si](C)(C)NCCCNCCCN(CCCCN)[Si](C)(C)C	standard non polar	2025-10-23	1477.91
Gas Chromatography	Thermospermine_TMS_12	C[Si](C)(C)N(CCCN)CCCN(CCCCN)[Si](C)(C)C	standard non polar	2025-10-23	2812.28
Gas Chromatography	Thermospermine_TMS_13	C[Si](C)(C)NCCCNCCCNCCCCN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1835.23
Gas Chromatography	Thermospermine_TMS_14	C[Si](C)(C)NCCCCN(CCCNCCCN[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2390.42
Gas Chromatography	Thermospermine_TMS_15	C[Si](C)(C)NCCCCNCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1517.09
Gas Chromatography	Thermospermine_TMS_16	C[Si](C)(C)NCCCCNCCCNCCCN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1548.68
Gas Chromatography	Thermospermine_TMS_17	C[Si](C)(C)N(CCCCN([Si](C)(C)C)[Si](C)(C)C)CCCNCCCN	standard non polar	2025-10-23	2745.54
Gas Chromatography	Thermospermine_TMS_18	C[Si](C)(C)N(CCCN)CCCNCCCCN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2229.43
Gas Chromatography	Thermospermine_TMS_19	C[Si](C)(C)NCCCCN(CCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2020.77
Gas Chromatography	Thermospermine_TMS_20	C[Si](C)(C)N(CCCNCCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1907.92
Gas Chromatography	Thermospermine_TMS_21	C[Si](C)(C)N(CCCCN)CCCNCCCN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1715.62
Gas Chromatography	Thermospermine_TMS_22	C[Si](C)(C)NCCCN(CCCN(CCCCN)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1607.55
Gas Chromatography	Thermospermine_TMS_23	C[Si](C)(C)N(CCCCNCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1980.75
Gas Chromatography	Thermospermine_TMS_24	C[Si](C)(C)NCCCN(CCCNCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1665.21
Gas Chromatography	Thermospermine_TMS_25	C[Si](C)(C)NCCCNCCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1629.77
Gas Chromatography	Thermospermine_TMS_26	C[Si](C)(C)NCCCCN(CCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2437.09
Gas Chromatography	Thermospermine_TMS_27	C[Si](C)(C)NCCCCN(CCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1893.91
Gas Chromatography	Thermospermine_TMS_28	C[Si](C)(C)NCCCCNCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1906.34
Gas Chromatography	Thermospermine_TMS_29	C[Si](C)(C)N(CCCN)CCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1763.25
Gas Chromatography	Thermospermine_TMS_30	C[Si](C)(C)N(CCCCN)CCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	998.892
Gas Chromatography	Thermospermine_TMS_31	C[Si](C)(C)N(CCCCN([Si](C)(C)C)[Si](C)(C)C)CCCNCCCN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2242.34
Gas Chromatography	Thermospermine_TMS_32	C[Si](C)(C)N(CCCNCCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1599.42
Gas Chromatography	Thermospermine_TMS_33	C[Si](C)(C)NCCCN(CCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1853.51
Gas Chromatography	Thermospermine_TMS_34	C[Si](C)(C)NCCCCN(CCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	720.565
Gas Chromatography	Thermospermine_TMS_35	C[Si](C)(C)N(CCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2059.75
Gas Chromatography	Thermospermine_TMS_1	C[Si](C)(C)NCCCCNCCCNCCCN	standard polar	2025-10-23	1996.6
Gas Chromatography	Thermospermine_TMS_2	C[Si](C)(C)NCCCNCCCNCCCCN	standard polar	2025-10-23	1717.57
Gas Chromatography	Thermospermine_TMS_3	C[Si](C)(C)N(CCCCN)CCCNCCCN	standard polar	2025-10-23	1927.32
Gas Chromatography	Thermospermine_TMS_4	C[Si](C)(C)N(CCCN)CCCNCCCCN	standard polar	2025-10-23	1971.92
Gas Chromatography	Thermospermine_TMS_5	C[Si](C)(C)NCCCCNCCCNCCCN[Si](C)(C)C	standard polar	2025-10-23	1723.6
Gas Chromatography	Thermospermine_TMS_6	C[Si](C)(C)N(CCCCNCCCNCCCN)[Si](C)(C)C	standard polar	2025-10-23	2304.54
Gas Chromatography	Thermospermine_TMS_7	C[Si](C)(C)NCCCCN(CCCNCCCN)[Si](C)(C)C	standard polar	2025-10-23	1867.39
Gas Chromatography	Thermospermine_TMS_8	C[Si](C)(C)NCCCCNCCCN(CCCN)[Si](C)(C)C	standard polar	2025-10-23	1560.42
Gas Chromatography	Thermospermine_TMS_9	C[Si](C)(C)N(CCCNCCCNCCCCN)[Si](C)(C)C	standard polar	2025-10-23	1871.27
Gas Chromatography	Thermospermine_TMS_10	C[Si](C)(C)NCCCN(CCCNCCCCN)[Si](C)(C)C	standard polar	2025-10-23	2176.36
Gas Chromatography	Thermospermine_TMS_11	C[Si](C)(C)NCCCNCCCN(CCCCN)[Si](C)(C)C	standard polar	2025-10-23	2449.68
Gas Chromatography	Thermospermine_TMS_12	C[Si](C)(C)N(CCCN)CCCN(CCCCN)[Si](C)(C)C	standard polar	2025-10-23	1862.91
Gas Chromatography	Thermospermine_TMS_13	C[Si](C)(C)NCCCNCCCNCCCCN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1943.38
Gas Chromatography	Thermospermine_TMS_14	C[Si](C)(C)NCCCCN(CCCNCCCN[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2288.03
Gas Chromatography	Thermospermine_TMS_15	C[Si](C)(C)NCCCCNCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2398.9
Gas Chromatography	Thermospermine_TMS_16	C[Si](C)(C)NCCCCNCCCNCCCN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2045.74
Gas Chromatography	Thermospermine_TMS_17	C[Si](C)(C)N(CCCCN([Si](C)(C)C)[Si](C)(C)C)CCCNCCCN	standard polar	2025-10-23	1932.68
Gas Chromatography	Thermospermine_TMS_18	C[Si](C)(C)N(CCCN)CCCNCCCCN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2944.14
Gas Chromatography	Thermospermine_TMS_19	C[Si](C)(C)NCCCCN(CCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2528.82
Gas Chromatography	Thermospermine_TMS_20	C[Si](C)(C)N(CCCNCCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2537.85
Gas Chromatography	Thermospermine_TMS_21	C[Si](C)(C)N(CCCCN)CCCNCCCN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1591.17
Gas Chromatography	Thermospermine_TMS_22	C[Si](C)(C)NCCCN(CCCN(CCCCN)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2333.56
Gas Chromatography	Thermospermine_TMS_23	C[Si](C)(C)N(CCCCNCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2460.89
Gas Chromatography	Thermospermine_TMS_24	C[Si](C)(C)NCCCN(CCCNCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1645.32
Gas Chromatography	Thermospermine_TMS_25	C[Si](C)(C)NCCCNCCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2163.32
Gas Chromatography	Thermospermine_TMS_26	C[Si](C)(C)NCCCCN(CCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1625.53
Gas Chromatography	Thermospermine_TMS_27	C[Si](C)(C)NCCCCN(CCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1796.12
Gas Chromatography	Thermospermine_TMS_28	C[Si](C)(C)NCCCCNCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2718.33
Gas Chromatography	Thermospermine_TMS_29	C[Si](C)(C)N(CCCN)CCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2225.24
Gas Chromatography	Thermospermine_TMS_30	C[Si](C)(C)N(CCCCN)CCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2174.72
Gas Chromatography	Thermospermine_TMS_31	C[Si](C)(C)N(CCCCN([Si](C)(C)C)[Si](C)(C)C)CCCNCCCN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1635.42
Gas Chromatography	Thermospermine_TMS_32	C[Si](C)(C)N(CCCNCCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	3296.07
Gas Chromatography	Thermospermine_TMS_33	C[Si](C)(C)NCCCN(CCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1825.52
Gas Chromatography	Thermospermine_TMS_34	C[Si](C)(C)NCCCCN(CCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1652.05
Gas Chromatography	Thermospermine_TMS_35	C[Si](C)(C)N(CCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1382.96

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Microbial Links
Bacteria/Eubacteria	Deinococcus-thermus	2	Metabolic reconstruction
Bacteria	Proteobacteria	1
Archaea/Archaea	Crenarchaeota	2
Archaea	Crenarchaeota	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C19669

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Polyamine

METLIN ID

Not Available

PubChem Compound

194365

PDB ID

Not Available

ChEBI ID

59564

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for Thermospermine (MMDBc0010742)

MOL for #<Metabolite:0x00007fc95d0464c8>

3D MOL for #<Metabolite:0x00007fc95d0464c8>

3D SDF for #<Metabolite:0x00007fc95d0464c8>

3D-SDF for #<Metabolite:0x00007fc95d0464c8>

PDB for #<Metabolite:0x00007fc95d0464c8>

3D PDB for #<Metabolite:0x00007fc95d0464c8>

SMILES for #<Metabolite:0x00007fc95d0464c8>

INCHI for #<Metabolite:0x00007fc95d0464c8>

Structure for #<Metabolite:0x00007fc95d0464c8>

3D Structure for #<Metabolite:0x00007fc95d0464c8>