Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	48069
Common Name:	5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin
Systematic Name:	6-(4-methylpent-3-en-1-yl)-5,8-dihydro-1,2,3,4-tetrathiocine
RefMet Name:	5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin
Synonyms:	[PubChem Synonyms]
Exact Mass:	264.0135 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H16S4
InChIKey:	OKRAIIIRDYCGGZ-POHAHGRESA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
SMILES:	CC(=CCCC1=CCSSSSC1)C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	10912402
HMDB ID:	HMDB0038142
Chemspider ID:	9087659
Plant Metabolite Hub(Pmhub):	MS000082499

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y