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CHEBI:193235 - 24-Dehydroprevitamin D3

ChEBI IDCHEBI:193235
ChEBI Name24-Dehydroprevitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O
Net Charge0
Average Mass382.632
Monoisotopic Mass382.32357
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]1(C)CCC=C2/C=C\C1=C(C)CC[C@@H](O)C1
InChIInChI=1S/C27H42O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h8,10,12-13,21,24-26,28H,6-7,9,11,14-18H2,1-5H3/b13-12-/t21-,24-,25-,26+,27-/m1/s1
InChIKeyNBMBTEIQSCVAHQ-UMHODALSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Biological Role:
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
ChEBI Ontology
Outgoing Relation(s)
24-Dehydroprevitamin D3 (CHEBI:193235) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
Manual XrefsDatabases
10143584ChemSpider
LMST03020665LIPID MAPS