KEGG   COMPOUND: C02373
Entry
C02373                      Compound                               
Name
4-Methylpentanal;
Isocaproaldehyde;
Isohexanal
Formula
C6H12O
Exact mass
100.0888
Mol weight
100.1589
Structure
Reaction
R02724 R03933 R04676
Pathway
map00140  Steroid hormone biosynthesis
Enzyme
1.14.15.6
Other DBs
CAS: 1119-16-0
PubChem: 5415
ChEBI: 17998
PDB-CCD: MOP[PDBj]
3DMET: B00433
NIKKAJI: J49.658H
LinkDB
KCF data

ATOM        7
            1   C1b C    27.3999  -19.8270
            2   C1c C    26.2023  -19.1327
            3   C1b C    28.6036  -19.1327
            4   C1a C    24.9986  -19.8270
            5   C1a C    26.2023  -17.7506
            6   C4a C    29.8012  -19.8270
            7   O4a O    30.9987  -19.1327
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     6   7 2

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