CHEBI:88734 - Aldosterone 18-glucuronide

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ChEBI Name Aldosterone 18-glucuronide ChEBI ID CHEBI:88734 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H36O11 Net Charge 0 Average Mass 536.569 Monoisotopic Mass 536.22576 InChI InChI=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 InChIKey OMRIQCUHVVBJKI-ACOLCOCVSA-N SMILES O1[C@]2(C3C(C4C(C2)([C@H](CC4)C(=O)CO)C1O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)CCC=6[C@@]3(CCC(=O)C6)C)[H] Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 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 aldosterone hemiacetal 18-β-glucuronide(1−) (CHEBI:193596) is conjugate base of Aldosterone 18-glucuronide (CHEBI:88734) Synonyms Sources (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 acid HMDB 11beta,18-Epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl-beta-D-glucopyranosiduronic acid HMDB 11beta,18-Epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl-beta-delta-glucopyranosiduronic acid HMDB Aldosterone-18-D-glucosiduronic acid HMDB Aldosterone-18-D-glucuronoside HMDB Aldosterone-18-delta-glucosiduronic acid HMDB Aldosterone-18-delta-glucuronoside HMDB Manual Xrefs Databases Beta-D-Glucuronides MetaCyc HMDB0010345 HMDB View more database links Registry Number Type Source 3604-86-2 CAS Registry Number KEGG COMPOUND Citation Type Source 12850384 PubMed citation Europe PMC