CHEBI:36489 - 17β-estradiol 3-glucosiduronic acid

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ChEBI Name 17β-estradiol 3-glucosiduronic acid
ChEBI ID CHEBI:36489
ChEBI ASCII Name 17beta-estradiol 3-glucosiduronic acid
Definition A steroid glucosiduronic acid that consists of 17β-estradiol having a β-glucuronyl residue attached at position 3 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23964, CHEBI:4865
Supplier Information
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Formulae C24H32O8
C24H32O8
Net Charge 0
Average Mass 448.507
Monoisotopic Mass 448.20972
InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKey MUOHJTRCBBDUOW-QXYWQCSFSA-N
SMILES O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)C2=CC3=C([C@@]4([C@]([C@]5([C@@]([C@@H](O)CC5)(CC4)C)[H])(CC3)[H])[H])C=C2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 17β-estradiol 3-glucosiduronic acid (CHEBI:36489) has functional parent 17β-estradiol (CHEBI:16469)
17β-estradiol 3-glucosiduronic acid (CHEBI:36489) has role human metabolite (CHEBI:77746)
17β-estradiol 3-glucosiduronic acid (CHEBI:36489) has role mouse metabolite (CHEBI:75771)
17β-estradiol 3-glucosiduronic acid (CHEBI:36489) is a β-D-glucosiduronic acid (CHEBI:15341)
17β-estradiol 3-glucosiduronic acid (CHEBI:36489) is a 17β-hydroxy steroid (CHEBI:35343)
17β-estradiol 3-glucosiduronic acid (CHEBI:36489) is a steroid glucosiduronic acid (CHEBI:26763)
17β-estradiol 3-glucosiduronic acid (CHEBI:36489) is conjugate acid of 17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136641)
Incoming 17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136641) is conjugate base of 17β-estradiol 3-glucosiduronic acid (CHEBI:36489)
IUPAC Name
17β-hydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid
Synonyms Sources
17beta-Estradiol 3-(beta-D-glucuronide) KEGG COMPOUND
17β-estradiol 3-glucuronide ChEBI
Estradiol-17beta 3-glucuronide KEGG COMPOUND
Estradiol-3-glucuronide ChemIDplus
Manual Xrefs Databases
C05503 KEGG COMPOUND
LMST05010007 LIPID MAPS
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Registry Numbers Types Sources
1302617 Beilstein Registry Number Beilstein
15270-30-1 CAS Registry Number ChemIDplus
5658104 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10365435 PubMed citation Europe PMC
10784423 PubMed citation Europe PMC
11812141 PubMed citation Europe PMC
11878459 PubMed citation Europe PMC
15516735 PubMed citation Europe PMC
15537867 PubMed citation Europe PMC
17612196 PubMed citation Europe PMC
20417221 PubMed citation Europe PMC
Last Modified
21 June 2017