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CHEBI:171908 - 25-Hydroxyvitamin D3-26,23-lactone

ChEBI IDCHEBI:171908
ChEBI Name25-Hydroxyvitamin D3-26,23-lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O4
Net Charge0
Average Mass428.613
Monoisotopic Mass428.29266
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C[C@@H]3C[C@@](C)(O)C(=O)O3)[C@@]1(C)CCC/C2=C\C=C1/C[C@H](O)CCC1=C
InChIInChI=1S/C27H40O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-24,28,30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9+/t18-,21-,22-,23-,24+,26-,27-/m1/s1
InChIKeyIJNDMZIDDKVXHR-MYEQSZOMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
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-Hydroxyvitamin D3-26,23-lactone (CHEBI:171908) is a vitamin D (CHEBI:27300)
IUPAC Name 
(3R,5R)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one
Manual XrefsDatabases
30778544ChemSpider
HMDB0060126HMDB