KEGG   DRUG: Pentetic acid
Entry
D05422                      Drug                                   
Name
Pentetic acid (USP/INN)
Formula
C14H23N3O10
Exact mass
393.1383
Mol weight
393.3465
Structure
Simcomp
Efficacy
Diagnostic aid
Other DBs
CAS: 67-43-6
PubChem: 47207094
LigandBox: D05422
NIKKAJI: J2.813D
KCF data

ATOM        27
            1   O6a O     8.5414  -19.5685
            2   C6a C     9.7524  -18.8674
            3   C1b C    10.9633  -19.5614
            4   N1c N    12.1743  -18.8603
            5   C1b C    13.3853  -19.5542
            6   C1b C    14.5962  -18.8531
            7   N1c N    15.8072  -19.5472
            8   C1b C    17.0181  -18.8462
            9   C1b C    18.2291  -19.5401
            10  N1c N    19.4401  -18.8390
            11  C1b C    20.6510  -19.5330
            12  C6a C    21.8620  -18.8319
            13  O6a O    23.0729  -19.5260
            14  O6a O     9.7493  -17.4652
            15  O6a O    21.8589  -17.4297
            16  C1b C    15.8102  -20.9494
            17  C6a C    14.5974  -21.6530
            18  O6a O    14.6006  -23.0552
            19  O6a O    13.3817  -20.9547
            20  C1b C    12.1712  -17.4581
            21  C6a C    13.3841  -16.7543
            22  O6a O    13.3808  -15.3521
            23  O6a O    14.5998  -17.4528
            24  C1b C    19.4370  -17.4369
            25  C6a C    18.2211  -16.7385
            26  O6a O    18.2181  -15.3363
            27  O6a O    17.0085  -17.4421
BOND        26
            1    10  24 1
            2    10  11 1
            3    24  25 1
            4    25  26 1
            5    11  12 1
            6    25  27 2
            7     4   5 1
            8    12  13 1
            9     2  14 2
            10    5   6 1
            11   12  15 2
            12    1   2 1
            13    7  16 1
            14    6   7 1
            15   16  17 1
            16   17  18 1
            17    7   8 1
            18   17  19 2
            19    2   3 1
            20    4  20 1
            21    8   9 1
            22   20  21 1
            23   21  22 1
            24    9  10 1
            25   21  23 2
            26    3   4 1

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  All links  
Drug (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (3)   

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