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CHEBI:169835 - (23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D3 / (23Z)-25-hydroxy-16,17,23,24-tetradehydrocholecalciferol

ChEBI IDCHEBI:169835
ChEBI Name(23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D3 / (23Z)-25-hydroxy-16,17,23,24-tetradehydrocholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O2
Net Charge0
Average Mass396.615
Monoisotopic Mass396.30283
SMILES[H][C@@]12CC=C([C@H](C)C/C=C\C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C27H40O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h6,11-12,14,16,20,23,25,28-29H,1,7-10,13,15,17-18H2,2-5H3/b16-6-,21-11+,22-12-/t20-,23+,25+,27-/m1/s1
InChIKeyBHWGGPXSQWTJKO-AUIFTPRISA-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)
(23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D3 / (23Z)-25-hydroxy-16,17,23,24-tetradehydrocholecalciferol (CHEBI:169835) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-1-[(Z,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual XrefsDatabases
LMST03020101LIPID MAPS
7826290ChemSpider