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CHEBI:88765 - Pregnanediol-3-glucuronide

ChEBI IDCHEBI:88765
ChEBI NamePregnanediol-3-glucuronide
Stars
DownloadsMolfile
FormulaC27H44O8
Net Charge0
Average Mass496.641
Monoisotopic Mass496.30362
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)O)[C@@]1(C)CC[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/t13-,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1
InChIKeyZFFFJLDTCLJDHL-JQYCEVDMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (9851755)
ChEBI Ontology
Outgoing Relation(s)
Pregnanediol-3-glucuronide (CHEBI:88765) is a steroid glucosiduronic acid (CHEBI:26763)
Synonym  Source
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7R,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}oxane-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0010318HMDB
Beta-D-GlucuronidesMetaCyc
Citations