CHEBI:137056 - cholic acid glucuronide

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ChEBI Name cholic acid glucuronide
ChEBI ID CHEBI:137056
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H48O11
Net Charge 0
Average Mass 584.697
Monoisotopic Mass 584.31966
InChI InChI=1S/C30H48O11/c1-13(4-7-21(33)34)16-5-6-17-22-18(12-20(32)30(16,17)3)29(2)9-8-15(10-14(29)11-19(22)31)40-28-25(37)23(35)24(36)26(41-28)27(38)39/h13-20,22-26,28,31-32,35-37H,4-12H2,1-3H3,(H,33,34)(H,38,39)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChIKey RBLDVEUUCHVWMW-SXYQVCRBSA-N
SMILES [C@]12([C@]([C@]3([C@](C[C@@H]1O)([C@@]4([C@](C[C@@H](CC4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O)O)O)([H])C[C@H]3O)C)[H])[H])(CC[C@@]2([C@@H](CCC(=O)O)C)[H])[H])C
ChEBI Ontology
Outgoing cholic acid glucuronide (CHEBI:137056) is a steroid glucosiduronic acid (CHEBI:26763)
Manual Xrefs Databases
13628368 ChemSpider
HMDB0002577 HMDB
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Last Modified
16 May 2017