Metabolomics Structure Database

 
MW REGNO: 34388
Common Name:7-dehydrocholesterol
Systematic Name:cholesta-5,7-dien-3beta-ol
RefMet Name:7-Dehydrocholesterol
Synonyms:7-DHC [PubChem Synonyms]
Exact Mass:
384.3392 (neutral)    Calculate m/z:
Formula:C27H44O
InChIKey:UCTLRSWJYQTBFZ-DDPQNLDTSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Cholesterol and derivatives [ST0101]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:439423
LIPID MAPS ID:LMST01010069
CHEBI ID:17759
HMDB ID:HMDB0000032
KEGG ID:C01164
Chemspider ID:388534
METLIN ID:5101
MetaCyc ID:CPD-4187
NP-MRD ID(NMR):NP0000147

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

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