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CHEBI:188186 - 25-Dehydrovitamin D3

ChEBI IDCHEBI:188186
ChEBI Name25-Dehydrovitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O
Net Charge0
Average Mass382.632
Monoisotopic Mass382.32357
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(=C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
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/h12-13,21,24-26,28H,1,3,6-11,14-18H2,2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
InChIKeyJYGGSELSVHHQDI-YRZJJWOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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)
25-Dehydrovitamin D3 (CHEBI:188186) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylhept-6-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual XrefsDatabases
LMST03020664LIPID MAPS
20144901ChemSpider