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CHEBI:137138 - (5Z,7E)-(3S)-3-hydroxy-9,10-seco-5,7,10(19)-cholatrien-24-oic acid

ChEBI IDCHEBI:137138
ChEBI Name(5Z,7E)-(3S)-3-hydroxy-9,10-seco-5,7,10(19)-cholatrien-24-oic acid
Stars
ASCII Name(5Z,7E)-(3S)-3-hydroxy-9,10-seco-5,7,10(19)-cholatrien-24-oic acid
Last Modified25 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC24H36O3
Net Charge0
Average Mass372.549
Monoisotopic Mass372.26645
SMILES[H][C@]1([C@]([H])(C)CCC(=O)O)CC[C@@]2([H])/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@]12C
InChIInChI=1S/C24H36O3/c1-16-6-10-20(25)15-19(16)9-8-18-5-4-14-24(3)21(11-12-22(18)24)17(2)7-13-23(26)27/h8-9,17,20-22,25H,1,4-7,10-15H2,2-3H3,(H,26,27)/b18-8+,19-9-/t17-,20+,21-,22+,24-/m1/s1
InChIKeyJJEWWCWHZFDCDG-PXTZRIKZSA-N
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)
(5Z,7E)-(3S)-3-hydroxy-9,10-seco-5,7,10(19)-cholatrien-24-oic acid (CHEBI:137138) is a vitamin D (CHEBI:27300)
Synonyms  Source
25,26,27-trinorvitamin D3 24-carboxylic acidLIPID MAPS
25,26,27-trinorcholecalciferol 24-carboxylic acidLIPID MAPS
cholacalcioic acidLIPID MAPS
Manual XrefsDatabases
LMST03020021LIPID MAPS