COMPOUND: C08279
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Entry
C08279 Compound
Name
Tiglic acid;
(E)-2,3-Dimethylacrylic acid
Formula
C5H8O2
Exact mass
100.0524
Mol weight
100.1158
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0102 Branched fatty acids
C08279 (E)-2,3-Dimethylacrylic acid
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CAS:
80-59-1
PubChem:
10477
ChEBI:
9592
LIPIDMAPS:
LMFA01020030
KNApSAcK:
C00001207
C00029460
NIKKAJI:
J4.252H
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KCF data
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ATOM 7
1 C2c C 28.0346 -19.8971
2 C6a C 26.8176 -19.2039
3 C2b C 29.2461 -19.2039
4 C1a C 28.0346 -21.3006
5 O6a O 25.6061 -19.8971
6 O6a O 26.8176 -17.8004
7 C1a C 30.4634 -19.8971
BOND 6
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
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