Metabolomics Structure Database

 
MW REGNO: 35552
Common Name:Vitamin D3
Systematic Name:(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol
RefMet Name:Vitamin D3
Synonyms:Vitamin D3 [PubChem Synonyms]
Exact Mass:
384.3392 (neutral)    Calculate m/z:
Formula:C27H44O
InChIKey:QYSXJUFSXHHAJI-YRZJJWOYSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Secosteroids [ST03]
LIPID MAPS subclass:Vitamin D3 and derivatives [ST0302]
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C/C[C@H](CCC3=C)O)/CCC[C@]12C
Studies:Available studies (via RefMet name)

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Human Pathway links:

REACTOME pathways containing this metabolite

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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