KEGG   COMPOUND: C01042Help
Entry
C01042                      Compound                               

Name
N-Acetyl-L-aspartate;
N-Acetyl-L-aspartic acid
Formula
C6H9NO5
Exact mass
175.0481
Mol weight
175.1394
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00250  Alanine, aspartate and glutamate metabolism
map01100  Metabolic pathways
Enzyme
2.3.1.17        3.4.17.21       3.5.1.15        6.3.2.41        
6.3.2.42
Other DBs
CAS: 997-55-7
PubChem: 4284
ChEBI: 16953 21547
ChEMBL: CHEMBL1162494
3DMET: B00227
NIKKAJI: J62.824G
LinkDB All DBs
KCF data Show

ATOM        12
            1   O6a O    17.2200  -18.9000
            2   C6a C    18.4324  -19.6000
            3   C1b C    19.6449  -18.9000
            4   C1c C    20.8573  -19.6000
            5   C6a C    22.0697  -18.9000
            6   O6a O    23.2822  -19.6000
            7   O6a O    22.0697  -17.5001
            8   O6a O    18.4324  -20.9998
            9   N1b N    20.8573  -21.0000
            10  C5a C    22.0724  -21.7000
            11  C1a C    23.2849  -21.0000
            12  O5a O    22.0731  -23.0998
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     5   7 2
            7     2   8 2
            8     4   9 1 #Up
            9     9  10 1
            10   10  11 1
            11   10  12 2

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