COMPOUND: C03467
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Entry
C03467 Compound
Name
beta-Ketoisocaproate;
beta-Ketoisocaproic acid;
3-Oxo-4-methylpentanoate;
4-Methyl-3-oxopentanoic acid
Formula
C6H10O3
Exact mass
130.063
Mol weight
130.1418
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
C03467 3-Oxo-4-methylpentanoic acid
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Other DBs
PubChem:
6286
ChEBI:
29024
LIPIDMAPS:
LMFA01020276
3DMET:
B00589
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KCF data
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ATOM 9
1 C5a C 27.0900 -20.2300
2 C1b C 25.8300 -20.9300
3 C1c C 28.2800 -20.9300
4 O5a O 27.0900 -18.8300
5 C6a C 24.6400 -20.2300
6 C1a C 29.4700 -20.2300
7 C1a C 28.2800 -22.3300
8 O6a O 24.6400 -18.8300
9 O6a O 23.4500 -20.9300
BOND 8
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 1
6 3 7 1
7 5 8 2
8 5 9 1
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