CHEBI:139131 - allolithocholic acid

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ChEBI Name allolithocholic acid
ChEBI ID CHEBI:139131
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H40O3
Net Charge 0
Average Mass 376.574
Monoisotopic Mass 376.29775
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey SMEROWZSTRWXGI-NWFSOSCSSA-N
SMILES O[C@H]1C[C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing allolithocholic acid (CHEBI:139131) is a bile acid (CHEBI:3098)
Manual Xref Database
4446891 ChemSpider
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Last Modified
22 November 2017