KEGG   COMPOUND: C01880Help
Entry
C01880                      Compound                               

Name
epsilon-Caprolactone;
6-Hexanolide;
1-Oxa-2-oxocycloheptane;
2-Oxepanone;
Hexano-6-lactone
Formula
C6H10O2
Exact mass
114.0681
Mol weight
114.1424
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00930  Caprolactam degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.14.13.22      3.1.1.17        3.1.1.83
Other DBs
CAS: 502-44-3
PubChem: 4993
ChEBI: 17915
ChEMBL: CHEMBL373123
PDB-CCD: ECE[PDBj]
3DMET: B00366
NIKKAJI: J1.566K
LinkDB All DBs
KCF data Show

ATOM        8
            1   C7x C    28.9217  -16.1251
            2   C1x C    27.6576  -16.7162
            3   O7x O    30.1800  -16.7454
            4   O6a O    28.9334  -14.7264
            5   C1x C    27.3299  -18.0798
            6   C1x C    30.4784  -18.1149
            7   C1x C    28.1902  -19.1860
            8   C1x C    29.5947  -19.1918
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 1
            8     7   8 1

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