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CHEBI:70790 - pentalenolactone(1−)
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ChEBI Name
pentalenolactone(1−)
ChEBI ID
CHEBI:70790
ChEBI ASCII Name
pentalenolactone(1-)
Definition
A monocarboxylic acid anion that is the conjugate base of pentalenolactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C15H15O5
Net Charge
-1
Average Mass
275.27660
Monoisotopic Mass
275.09250
InChI
InChI=1S/C15H16O5/c1-
7-
4-
14-
10(8(7)
2)
3-
9(12(16)
17)
11(14)
5-
19-
13(18)
15(14)
6-
20-
15/h3-
4,8,10-
11H,5-
6H2,1-
2H3,(H,16,17)
/p-
1/t8-
,10-
,11+,14-
,15-
/m1/s1
InChIKey
NUPNVWUYFVEAIT-UJJBCWTCSA-M
SMILES
[H][C@@]12COC(=O)[C@]3(CO3)[C@@]11C=C(C)[C@@H](C)[C@@]1([H])C=C2C([O-])=O
ChEBI Ontology
Outgoing
pentalenolactone(1−) (
CHEBI:70790
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
pentalenolactone(1−) (
CHEBI:70790
)
is conjugate base of
pentalenolactone (
CHEBI:70816
)
Incoming
pentalenolactone (
CHEBI:70816
)
is conjugate acid of
pentalenolactone(1−) (
CHEBI:70790
)
IUPAC Name
(2
R
,4a'
S
,7'
S
,7a'
R
,9a'
R
)-
6',7'-
dimethyl-
3'-
oxo-
1',7',7a',9a'-
tetrahydrospiro[oxirane-
2,4'-
pentaleno[1,6a-
c
]pyran]-
9'-
carboxylate
Synonyms
Sources
arenaemycin E
MetaCyc
pentalenolactone
UniProt
pentalenolactone anion
ChEBI
Manual Xref
Database
CPD-13619
MetaCyc
View more database links
Citation
Type
Source
21284395
PubMed citation
SUBMITTER
Last Modified
26 October 2018