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CHEBI:173161 - 1alpha-Hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid

Default Structure
ChEBI IDCHEBI:173161
ChEBI Name1alpha-Hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O4
Net Charge0
Average Mass388.548
Monoisotopic Mass388.26136
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C24H36O4/c1-15(6-11-23(27)28)20-9-10-21-17(5-4-12-24(20,21)3)7-8-18-13-19(25)14-22(26)16(18)2/h7-8,15,19-22,25-26H,2,4-6,9-14H2,1,3H3,(H,27,28)/b17-7+,18-8-/t15-,19-,20-,21+,22+,24-/m1/s1
InChIKeyOOUYRLBHGAIYSC-JIOPYBTOSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
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)
1alpha-Hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid (CHEBI:173161) is a vitamin D (CHEBI:27300)
IUPAC Name 
(4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]pentanoic acid
Manual XrefsDatabases
7826222ChemSpider
LMST03020022LIPID MAPS