KEGG   COMPOUND: C21888
Entry
C21888                      Compound                               
Name
Dihydrorhizobitoxine;
(2S)-2-Amino-4-[(2R)-2-amino-3-hydroxypropoxy]butanoate
Formula
C7H16N2O4
Exact mass
192.1110
Mol weight
192.21
Structure
Reaction
R12074
Enzyme
1.14.19.61
LinkDB
KCF data

ATOM        13
            1   O6a O    14.4133  -17.9116
            2   C6a C    14.4133  -16.5123
            3   O6a O    13.1538  -15.8126
            4   C1b C    16.7921  -16.5123
            5   C1c C    15.6027  -15.8126
            6   O2a O    19.2410  -16.5123
            7   C1b C    18.0516  -15.8126
            8   C1c C    21.6899  -16.5123
            9   C1b C    20.4304  -15.8126
            10  O1a O    24.0687  -16.5123
            11  C1b C    22.8793  -15.8126
            12  N1a N    15.6027  -14.4133
            13  N1a N    21.6899  -17.9116
BOND        12
            1     1   2 2
            2     2   3 1
            3     4   5 1
            4     2   5 1
            5     6   7 1
            6     4   7 1
            7     8   9 1
            8     6   9 1
            9    10  11 1
            10    8  11 1
            11    5  12 1 #Up
            12    8  13 1 #Up

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