KEGG   COMPOUND: C08279Help
Entry
C08279                      Compound                               

Name
Tiglic acid;
(E)-2,3-Dimethylacrylic acid
Formula
C5H8O2
Exact mass
100.0524
Mol weight
100.1158
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 80-59-1
PubChem: 10477
ChEBI: 9592
ChEMBL: CHEMBL52416
LIPIDMAPS: LMFA01020030
LipidBank: DFA0255
KNApSAcK: C00001207 C00029460
NIKKAJI: J4.252H
LinkDB All DBs
KCF data Show

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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