CHEBI:16317 - 3α-hydroxyglycyrrhetinic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3α-hydroxyglycyrrhetinic acid
ChEBI ID CHEBI:16317
ChEBI ASCII Name 3alpha-hydroxyglycyrrhetinic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11906, CHEBI:19958, CHEBI:1714
Supplier Information
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Formula C30H46O4
Net Charge 0
Average Mass 470.68384
Monoisotopic Mass 470.33961
InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22+,23+,26+,27-,28-,29+,30+/m0/s1
InChIKey MPDGHEJMBKOTSU-GBWCSKBLSA-N
SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
ChEBI Ontology
Outgoing 3α-hydroxyglycyrrhetinic acid (CHEBI:16317) has functional parent glycyrrhetinic acid (CHEBI:30853)
3α-hydroxyglycyrrhetinic acid (CHEBI:16317) is a pentacyclic triterpenoid (CHEBI:25872)
3α-hydroxyglycyrrhetinic acid (CHEBI:16317) is conjugate acid of 3α-hydroxyglycyrrhetinate (CHEBI:57729)
Incoming 3α-hydroxyglycyrrhetinate (CHEBI:57729) is conjugate base of 3α-hydroxyglycyrrhetinic acid (CHEBI:16317)
IUPAC Name
3α-hydroxy-11-oxoolean-12-en-30-oic acid
Synonyms Sources
3-alpha-hydroxyglycyrrhetinate ChEBI
3alpha-Hydroxyglycyrrhetinate KEGG COMPOUND
3βH-glycyrrhetinate ChEBI
3βH-glycyrrhetinic acid ChEBI
Manual Xref Database
C03930 KEGG COMPOUND
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Last Modified
15 January 2019