KEGG   COMPOUND: C20892
Entry
C20892                      Compound                               

Name
3-(5-Oxoisoxazolin-2-yl)-L-alanine;
beta-(Isoxazolin-5-on-2-yl)-L-alanine
Formula
C6H8N2O4
Exact mass
172.0484
Mol weight
172.1387
Structure
Reaction
Enzyme
Other DBs
PubChem: 254741355
LinkDB
KCF data

ATOM        12
            1   N4y N    17.3405  -16.0729
            2   C8x C    16.2188  -15.2316
            3   O7x O    16.9198  -17.4049
            4   C1b C    18.6024  -15.3718
            5   C8x C    15.0971  -16.0729
            6   C8y C    15.5177  -17.4049
            7   C1c C    19.7940  -16.0729
            8   C6a C    20.9858  -15.3718
            9   N1a N    19.7940  -17.4750
            10  O6a O    22.1776  -16.0729
            11  O6a O    20.9858  -13.9697
            12  O6a O    14.6860  -18.5394
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     7   8 1
            8     7   9 1 #Up
            9     8  10 1
            10    8  11 2
            11    5   6 1
            12    6  12 2

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