KEGG   COMPOUND: C02123
Entry
C02123                      Compound                               
Name
3-Propylmalate;
3-Propylmalic acid
Formula
C7H12O5
Exact mass
176.0685
Mol weight
176.1672
Structure
Reaction
Pathway
map00630  Glyoxylate and dicarboxylate metabolism
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0117 Dicarboxylic acids
    C02123  3-Propylmalic acid
Other DBs
PubChem: 5202
ChEBI: 15594 30850
LIPIDMAPS: LMFA01170064
3DMET: B04839
NIKKAJI: J2.735.522F
LinkDB
KCF data

ATOM        12
            1   C1c C    19.0627  -14.0361
            2   C1c C    17.8519  -13.3341
            3   C1b C    19.0627  -15.4337
            4   C6a C    20.2734  -13.3341
            5   C6a C    16.6348  -14.0361
            6   O1a O    17.8519  -11.9367
            7   C1b C    20.2734  -16.1356
            8   O6a O    21.4842  -14.0361
            9   O6a O    20.2734  -11.9367
            10  O6a O    15.4240  -13.3277
            11  O6a O    16.6411  -15.4337
            12  C1a C    20.2734  -17.5397
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    7  12 1

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