KEGG   COMPOUND: C01513
Entry
C01513                      Compound                               
Name
Lupinate;
Lupinic acid;
3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine;
(S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid
Formula
C13H18N6O3
Exact mass
306.144
Mol weight
306.3204
Structure
Reaction
R03133
Pathway
map00908  Zeatin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.5.1.50
Other DBs
CAS: 67392-79-4
PubChem: 4679
ChEBI: 15877 30886 6572
3DMET: B01458
NIKKAJI: J14.630G
KCF data

ATOM        22
            1   C8y C    25.4100  -18.0600
            2   C8y C    25.4100  -16.6600
            3   N4y N    24.0100  -18.4800
            4   N5x N    26.6000  -18.7600
            5   C8y C    26.6000  -15.9600
            6   N5x N    24.0100  -16.2400
            7   C8x C    23.2400  -17.3600
            8   C8x C    27.7900  -18.0600
            9   N5x N    27.7900  -16.6600
            10  N1b N    26.6000  -14.5600
            11  C1b C    27.8124  -13.8600
            12  C2b C    29.0079  -14.5504
            13  C2c C    30.1953  -13.8649
            14  C1b C    31.3865  -14.5529
            15  C1a C    30.1955  -12.4602
            16  O1a O    32.5760  -13.8662
            17  C1b C    24.0100  -19.8800
            18  C1c C    22.7976  -20.5800
            19  C6a C    21.6021  -19.8896
            20  N1a N    22.7975  -21.9798
            21  O6a O    20.4147  -20.5751
            22  O6a O    21.6020  -18.4803
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6   7 2
            11    8   9 2
            12   10  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   13  15 1
            17   14  16 1
            18    3  17 1
            19   17  18 1
            20   18  19 1
            21   18  20 1 #Up
            22   19  21 1
            23   19  22 2

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (3)   
   3DMET (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
All databases (10)   

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