KEGG   COMPOUND: C13673Help
Entry
C13673                      Compound                               

Name
(S)-ACPA;
(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid
Formula
C8H10N2O5
Exact mass
214.059
Mol weight
214.1754
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 586265
ChEBI: 34017
ChEMBL: CHEMBL602962
NIKKAJI: J762.034I
KCF data Show

ATOM        15
            1   C8y C    26.8100  -19.8100
            2   C8y C    25.6200  -18.9700
            3   C8y C    26.3200  -21.1400
            4   C1b C    28.0000  -19.1100
            5   N5x N    24.5000  -19.8100
            6   C6a C    25.6200  -17.5700
            7   O2x O    24.9200  -21.1400
            8   C1c C    29.1900  -19.8100
            9   C6a C    30.4500  -19.1100
            10  N1a N    29.1900  -21.2100
            11  O6a O    31.6400  -19.8100
            12  O6a O    30.4500  -17.7100
            13  C1a C    27.1600  -22.2600
            14  O6a O    24.4300  -16.8700
            15  O6a O    26.8800  -16.9400
BOND        15
            1     1   4 1
            2     2   5 2
            3     2   6 1
            4     3   7 1
            5     4   8 1
            6     8   9 1
            7     8  10 1 #Up
            8     9  11 1
            9     9  12 2
            10    5   7 1
            11    3  13 1
            12    1   2 1
            13    6  14 2
            14    1   3 2
            15    6  15 1

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