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> Main
CHEBI:142975 - marinolate C
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ChEBI Name
marinolate C
ChEBI ID
CHEBI:142975
Definition
A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of marinolic acid C. The major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
eMolecules:1360357
,
ZINC000000538471
Download
Molfile
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Molfile
Formula
C25H41O8
Net Charge
-1
Average Mass
469.596
Monoisotopic Mass
469.28069
InChI
InChI=1S/C25H42O8/c1-
17(15-
23(29)
32-
13-
8-
6-
4-
5-
7-
12-
22(27)
28)
14-
21-
25(31)
24(30)
20(16-
33-
21)
11-
9-
10-
18(2)
19(3)
26/h9-
10,15,18-
21,24-
26,30-
31H,4-
8,11-
14,16H2,1-
3H3,(H,27,28)
/p-
1/b10-
9+,17-
15+/t18-
,19+,20+,21+,24-
,25+/m1/s1
InChIKey
RJHPSMAZNAJFHT-YUDKCSBMSA-M
SMILES
[C@H]1([C@@H]([C@H](CO[C@H]1C/C(=C/C(OCCCCCCCC([O-])=O)=O)/C)C/C=C/[C@H]([C@H](C)O)C)O)O
ChEBI Ontology
Outgoing
marinolate C (
CHEBI:142975
)
is a
marilonates (
CHEBI:155967
)
marinolate C (
CHEBI:142975
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
marinolate C (
CHEBI:142975
)
is conjugate base of
marinolic acid C (
CHEBI:144638
)
Incoming
marinolic acid C (
CHEBI:144638
)
is conjugate acid of
marinolate C (
CHEBI:142975
)
IUPAC Name
(2
E
)-
4-
{(2
S
,3
R
,4
R
,5
S
)-
3,4-
dihydroxy-
5-
[(2
E
,4
R
,5
S
)-
5-
hydroxy-
4-
methylhex-
2-
en-
1-
yl]oxan-
2-
yl}-
3-
methylbut-
2-
enoate
Synonym
Source
marinolate C
UniProt
Manual Xref
Database
CPD-18978
MetaCyc
View more database links
Citation
Last Modified
24 August 2019