COMPOUND: C02214
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Entry
C02214 Compound
Name
(E)-Glutaconate;
trans-Glutaconate;
trans-Glutaconic acid;
Glutaconic acid;
(E)-Glutaconic acid;
(2E)-Pent-2-enedioic acid
Formula
C5H6O4
Exact mass
130.0266
Mol weight
130.0987
Structure
Mol file
KCF file
DB search
Reaction
R03884
Enzyme
2.8.3.12
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0117 Dicarboxylic acids
C02214 (2E)-Pent-2-enedioic acid
BRITE hierarchy
Other DBs
CAS:
628-48-8
PubChem:
5281
ChEBI:
15670
36460
LIPIDMAPS:
LMFA01170109
PDB-CCD:
G9A
[
PDBj
]
3DMET:
B00402
NIKKAJI:
J7.761E
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KCF data
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ATOM 9
1 O6a O 21.4589 -19.6902
2 C6a C 22.6692 -18.9865
3 C2b C 23.8794 -19.6902
4 C2b C 25.0895 -18.9865
5 C1b C 26.2998 -19.6902
6 C6a C 27.5101 -18.9865
7 O6a O 28.7202 -19.6902
8 O6a O 22.6692 -17.5863
9 O6a O 27.5101 -17.5863
BOND 8
1 4 5 1
2 2 3 1
3 5 6 1
4 1 2 1
5 6 7 1
6 3 4 2
7 2 8 2
8 6 9 2
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