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CHEBI:186427 - VD 2656

ChEBI IDCHEBI:186427
ChEBI NameVD 2656
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O3S
Net Charge0
Average Mass482.730
Monoisotopic Mass482.28547
SMILES[H][C@@]12CC=C([C@@H](C)CSc3cccc(C(C)(C)O)c3)[C@@]1(C)CCC/C2=C\C=C1C[C@@H](O)C[C@H](O)C1
InChIInChI=1S/C30H42O3S/c1-20(19-34-26-9-5-8-23(17-26)29(2,3)33)27-12-13-28-22(7-6-14-30(27,28)4)11-10-21-15-24(31)18-25(32)16-21/h5,8-12,17,20,24-25,28,31-33H,6-7,13-16,18-19H2,1-4H3/b22-11+/t20-,24+,25+,28-,30+/m0/s1
InChIKeyGLUHCPQTSGFVHZ-FILOKOKSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
VD 2656 (CHEBI:186427) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3R)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-1-[3-(2-hydroxypropan-2-yl)phenyl]sulanylpropan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
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