CHEBI:179730 - 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide
ChEBI ID CHEBI:179730
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H38O8
Net Charge 0
Average Mass 466.571
Monoisotopic Mass 466.25667
InChI InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18?,19-,20-,21?,23+,24-,25-/m0/s1
InChIKey VFUIRAVTUVCQTF-KTMONSPFSA-N
SMILES O([C@H]1C[C@]2([C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=O)CC4)C)[H])(CC2)[H])[H])(CC1)C)[H])[C@@H]5OC([C@@H](O)C(O)[C@@H]5O)C(O)=O
ChEBI Ontology
Outgoing 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide (CHEBI:179730) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name
(3S,5S,6R)-6-[[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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