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> Main
CHEBI:16317 - 3α-hydroxyglycyrrhetinic acid
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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
3β
H
-glycyrrhetinate
ChEBI
3β
H
-glycyrrhetinic acid
ChEBI
Manual Xref
Database
C03930
KEGG COMPOUND
View more database links
Last Modified
15 January 2019