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CHEBI:186696 - (23S,25R)-25-hydroxyvitamin D3 26,23-lactol

ChEBI IDCHEBI:186696
ChEBI Name(23S,25R)-25-hydroxyvitamin D3 26,23-lactol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC3CC(C)(O)C(O)O3)[C@@]1(C)CCC/C2=C\C=C1\C[C@H](O)CCC1=C
InChIInChI=1S/C27H42O4/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/h8-9,18,21-25,28-30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9-/t18-,21-,22?,23-,24+,25?,26-,27?/m1/s1
InChIKeySFOPTSUKUQDFIB-QZMKUVGVSA-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)
(23S,25R)-25-hydroxyvitamin D3 26,23-lactol (CHEBI:186696) is a vitamin D (CHEBI:27300)
IUPAC Name 
5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyloxolane-2,3-diol
Registry NumbersSources
CAS:83136-06-5ChemIDplus