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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (5Z,7E)-(3S)-3-hydroxy-9,10-seco-5,7,10(19)-cholatrien-24-oic acid
ChEBI ID CHEBI:137138
ChEBI ASCII Name (5Z,7E)-(3S)-3-hydroxy-9,10-seco-5,7,10(19)-cholatrien-24-oic acid
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H36O3
Net Charge 0
Average Mass 372.542
Monoisotopic Mass 372.26645
InChI InChI=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
InChIKey JJEWWCWHZFDCDG-PXTZRIKZSA-N
SMILES C1C[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@]2(CC[C@]3([H])[C@](CCC(O)=O)([H])C)[H])C)/C1=C)O
Roles Classification
Biological Role(s): 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.
(via vitamin D )
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ChEBI Ontology
Outgoing (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 Sources
25,26,27-trinorcholecalciferol 24-carboxylic acid LIPID MAPS
25,26,27-trinorvitamin D3 24-carboxylic acid LIPID MAPS
cholacalcioic acid LIPID MAPS
Manual Xref Database
LMST03020021 LIPID MAPS
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Last Modified
25 May 2017