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CHEBI:172588 - 24,25,26,27-Tetranor-23-oxo-hydroxyvitamin D3

ChEBI IDCHEBI:172588
ChEBI Name24,25,26,27-Tetranor-23-oxo-hydroxyvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O3
Net Charge0
Average Mass358.522
Monoisotopic Mass358.25079
SMILES[H][C@@]1([C@@H](C)CC=O)CC[C@]2([H])/C(=C/C=C3\C[C@@H](O)C[C@@H](O)C3=C)CCC[C@@]12C
InChIInChI=1S/C23H34O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,12,15,19-22,25-26H,2,4-5,8-11,13-14H2,1,3H3/b17-6+,18-7+/t15-,19+,20-,21+,22+,23-/m0/s1
InChIKeyAOVGFTJYESGAEA-ZSCXDZJGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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)
24,25,26,27-Tetranor-23-oxo-hydroxyvitamin D3 (CHEBI:172588) is a vitamin D (CHEBI:27300)
IUPAC Name 
(3S)-3-[(1S,3aR,4E,7aS)-4-[(2E)-2-[(3R,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanal
Manual XrefsDatabases
HMDB0060114HMDB
30778535ChemSpider