COMPOUND: C01771
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Entry
C01771 Compound
Name
2-Butenoate;
2-Butenoic acid;
Crotonic acid;
3-Methylacrylic acid;
(E)-But-2-enoic acid
Formula
C4H6O2
Exact mass
86.0368
Mol weight
86.0892
Structure
Mol file
KCF file
DB search
Reaction
R01689
Enzyme
1.3.1.31
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0103 Unsaturated fatty acids
Monounsaturated fatty acids
C01771 (E)-But-2-enoic acid
BRITE hierarchy
Other DBs
CAS:
3724-65-0
PubChem:
4904
ChEBI:
17217
41131
LIPIDMAPS:
LMFA01030195
PDB-CCD:
BEO
[
PDBj
]
3DMET:
B00348
NIKKAJI:
J109.464E
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KCF data
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ATOM 6
1 C2b C 22.1306 -15.0946
2 C6a C 23.3400 -15.7959
3 C2b C 20.9148 -15.7959
4 O6a O 23.3400 -17.4782
5 O6a O 24.5495 -15.0946
6 C1a C 19.7053 -15.0946
BOND 5
1 1 2 1
2 1 3 2
3 2 4 1
4 2 5 2
5 3 6 1
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