KEGG   COMPOUND: C13708
Entry
C13708                      Compound                               
Name
IBMX;
3-Isobutyl-1-methyxanthine
Formula
C10H14N4O2
Exact mass
222.1117
Mol weight
222.24
Structure
Other DBs
CAS: 28822-58-4
PubChem: 586297
ChEBI: 34795
PDB-CCD: IBM[PDBj]
NIKKAJI: J107.263C
KCF data

ATOM        16
            1   C8y C    28.7920  -19.1584
            2   C8y C    28.7920  -17.7557
            3   N4y N    27.5738  -19.8660
            4   C8y C    27.5738  -17.0605
            5   C8y C    26.3754  -19.1584
            6   N4y N    26.3754  -17.7557
            7   O5x O    27.5738  -15.6706
            8   O5x O    25.1703  -19.8406
            9   C1a C    25.1747  -17.0640
            10  C1b C    27.5690  -21.2747
            11  C1c C    26.3466  -21.9749
            12  C1a C    26.3415  -23.3835
            13  C1a C    25.1289  -21.2661
            14  N4x N    30.1260  -19.5918
            15  C8x C    30.9505  -18.4570
            16  N5x N    30.1260  -17.3223
BOND        17
            1     3   5 1
            2     4   6 1
            3     4   7 2
            4     5   8 2
            5     5   6 1
            6     6   9 1
            7     1   2 2
            8     3  10 1
            9     1   3 1
            10   10  11 1
            11   11  12 1
            12    2   4 1
            13   11  13 1
            14    1  14 1
            15   14  15 1
            16   15  16 2
            17    2  16 1

» Japanese version

  All links  
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (4)   

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