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CHEBI:140468 - gypsogenate(2−)
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ChEBI Name
gypsogenate(2−)
ChEBI ID
CHEBI:140468
ChEBI ASCII Name
gypsogenate(2-)
Definition
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of gypsogenic acid; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C30H44O5
Net Charge
-2
Average Mass
484.668
Monoisotopic Mass
484.31997
InChI
InChI=1S/C30H46O5/c1-
25(2)
13-
15-
30(24(34)
35)
16-
14-
27(4)
18(19(30)
17-
25)
7-
8-
20-
26(3)
11-
10-
22(31)
29(6,23(32)
33)
21(26)
9-
12-
28(20,27)
5/h7,19-
22,31H,8-
17H2,1-
6H3,(H,32,33)
(H,34,35)
/p-
2/t19-
,20+,21+,22-
,26+,27+,28+,29-
,30-
/m0/s1
InChIKey
PAIBKVQNJKUVCE-JUENUIDLSA-L
SMILES
O=C([O-
]
)
[C@@]
12CC[C@]
3([C@@]
4(CC[C@]
5([C@]
([C@H]
(CC[C@@]
5([C@]
4(CC=C3[C@@]
1(CC(C)
(C)
CC2)
[H]
)
[H]
)
C)
O)
(C)
C([O-
]
)
=O)
[H]
)
C)
C
ChEBI Ontology
Outgoing
gypsogenate(2−) (
CHEBI:140468
)
is a
dicarboxylic acid dianion (
CHEBI:28965
)
gypsogenate(2−) (
CHEBI:140468
)
is a
isoprenoid (
CHEBI:24913
)
gypsogenate(2−) (
CHEBI:140468
)
is conjugate base of
gypsogenic acid (
CHEBI:71531
)
Incoming
gypsogenic acid (
CHEBI:71531
)
is conjugate acid of
gypsogenate(2−) (
CHEBI:140468
)
IUPAC Name
3β-hydroxyolean-12-ene-23,28-dioate
Synonyms
Sources
(3β)-3-hydroxyolean-12-ene-23,28-dioate
IUPAC
gypsogenate
UniProt
Manual Xref
Database
CPD-9474
MetaCyc
View more database links
Last Modified
18 August 2021