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CHEBI:88734 - Aldosterone 18-glucuronide

ChEBI IDCHEBI:88734
ChEBI NameAldosterone 18-glucuronide
Stars
DownloadsMolfile
FormulaC27H36O11
Net Charge0
Average Mass536.574
Monoisotopic Mass536.22576
SMILES[H][C@]12CC3(C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3=CC(=O)CC[C@]3(C)C12
InChIInChI=1S/C27H36O11/c1-26-7-6-12(29)8-11(26)2-3-13-14-4-5-15(16(30)10-28)27(14)9-17(18(13)26)36-25(27)38-24-21(33)19(31)20(32)22(37-24)23(34)35/h8,13-15,17-22,24-25,28,31-33H,2-7,9-10H2,1H3,(H,34,35)/t13?,14?,15-,17-,18?,19+,20+,21-,22+,24+,25?,26+,27?/m1/s1
InChIKeyOMRIQCUHVVBJKI-ACOLCOCVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (12850384)
ChEBI Ontology
Outgoing Relation(s)
Aldosterone 18-glucuronide (CHEBI:88734) is a steroid glucosiduronic acid (CHEBI:26763)
Aldosterone 18-glucuronide (CHEBI:88734) is conjugate acid of aldosterone hemiacetal 18-β-glucuronide(1−) (CHEBI:193596)
Incoming Relation(s)
aldosterone hemiacetal 18-β-glucuronide(1−) (CHEBI:193596) is conjugate base of Aldosterone 18-glucuronide (CHEBI:88734)
Synonyms  Source
11beta,18-Epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl-beta-D-glucopyranosiduronic acidHMDB
Aldosterone-18-delta-glucosiduronic acidHMDB
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,14R,16R)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.0^{1,5}.0^{6,15}.0^{9,14}]nonadec-9-en-18-yl]oxy}oxane-2-carboxylic acidHMDB
11beta,18-Epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl-beta-delta-glucopyranosiduronic acidHMDB
Aldosterone-18-D-glucuronosideHMDB
Aldosterone-18-delta-glucuronosideHMDB
Manual XrefsDatabases
HMDB0010345HMDB
Beta-D-GlucuronidesMetaCyc
Registry NumbersSources
CAS:3604-86-2KEGG COMPOUND
Citations