EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169402 - VD 2716

ChEBI IDCHEBI:169402
ChEBI NameVD 2716
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-/m1/s1
InChIKeyGLUHCPQTSGFVHZ-PQALSDTISA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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 2716 (CHEBI:169402) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3R)-5-[(2E)-2-[(3aS,7aS)-1-[(2S)-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
Manual XrefsDatabases
24823371ChemSpider
LMST03020640LIPID MAPS