EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193596 - aldosterone hemiacetal 18-β-glucuronide(1−)

Default Structure
ChEBI IDCHEBI:193596
ChEBI Namealdosterone hemiacetal 18-β-glucuronide(1−)
Stars
ASCII Namealdosterone hemiacetal 18-beta-glucuronide(1-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H35O11
Net Charge-1
Average Mass535.566
Monoisotopic Mass535.21849
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H]1C[C@]3(C(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)O1)[C@@H](C(=O)CO)CC[C@@]23[H]
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)/p-1/t13-,14-,15+,17-,18+,19-,20-,21+,22-,24-,25?,26-,27+/m0/s1
InChIKeyOMRIQCUHVVBJKI-QAUMJDADSA-M
ChEBI Ontology
Outgoing Relation(s)
aldosterone hemiacetal 18-β-glucuronide(1−) (CHEBI:193596) is a steroid acid anion (CHEBI:50160)
aldosterone hemiacetal 18-β-glucuronide(1−) (CHEBI:193596) is conjugate base of Aldosterone 18-glucuronide (CHEBI:88734)
Incoming Relation(s)
Aldosterone 18-glucuronide (CHEBI:88734) is conjugate acid of aldosterone hemiacetal 18-β-glucuronide(1−) (CHEBI:193596)
UniProt Name  Source
aldosterone hemiacetal 18-β-glucuronideUniProt
Citations