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CHEBI:62672 - 11α-hydroxyprogesterone 11-glucosiduronic acid

ChEBI IDCHEBI:62672
ChEBI Name11α-hydroxyprogesterone 11-glucosiduronic acid
Stars
ASCII Name11alpha-hydroxyprogesterone 11-glucosiduronic acid
DefinitionA steroid glucosiduronic acid comprising 11alpha-hydroxyprogesterone having a β-Dglucosiduronic acid residue attached to the 11-hydroxy group via a glycosidic linkage.
Last Modified2 August 2011
SubmitterSteve
DownloadsMolfile
FormulaC27H38O9
Net Charge0
Average Mass506.592
Monoisotopic Mass506.25158
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C27H38O9/c1-12(28)16-6-7-17-15-5-4-13-10-14(29)8-9-26(13,2)19(15)18(11-27(16,17)3)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h10,15-23,25,30-32H,4-9,11H2,1-3H3,(H,33,34)/t15-,16+,17-,18+,19+,20-,21-,22+,23-,25+,26-,27+/m0/s1
InChIKeyWVTMNZAPPOMZST-RKCIHFDFSA-N
ChEBI Ontology
Outgoing Relation(s)
11α-hydroxyprogesterone 11-glucosiduronic acid (CHEBI:62672) has functional parent 11α-hydroxyprogesterone (CHEBI:16076)
11α-hydroxyprogesterone 11-glucosiduronic acid (CHEBI:62672) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name 
3,20-dioxopregn-4-en-11α-yl β-D-glucopyranosiduronic acid
Synonyms  Source
progesterone 11α-glucuronideChEBI
11-Hydroxyprogesterone 11-glucuronideChemIDplus
11-HpgChemIDplus
Registry NumbersSources
CAS:129238-72-8ChemIDplus
Citations