KEGG   COMPOUND: C15726Help
Entry
C15726                      Compound                               

Name
Zwittermicin A
Formula
C13H28N6O8
Exact mass
396.1969
Mol weight
396.3968
Structure
Mol fileKCF fileDB search
Sequence
0 Ser  1 Mak  2 Nmk  3 Hmn  4 Dpr
  Gene
[UP:Q7BQ70]
  Organism
Bacillus cereus
  Type
PKNRP
Other DBs
CAS: 155547-95-8
PubChem: 47205052
ChEBI: 80056
ChEMBL: CHEMBL1093072
NIKKAJI: J2.695.848B
LinkDB All DBs
KCF data Show

ATOM        27
            1   O1a O    18.5650  -24.8683
            2   C1b C    19.7784  -24.1677
            3   C1c C    20.9920  -24.8683
            4   C1c C    22.2054  -24.1677
            5   C1b C    23.4188  -24.8683
            6   C1c C    24.6324  -24.1677
            7   C1c C    25.8458  -24.8683
            8   C1c C    27.0592  -24.1677
            9   C1c C    28.2728  -24.8683
            10  C5a C    29.4862  -24.1677
            11  N1b N    30.6998  -24.8683
            12  C1c C    31.9132  -24.1677
            13  C1b C    33.1266  -24.8683
            14  N1b N    34.3402  -24.1677
            15  C5a C    35.5536  -24.8683
            16  N1a N    20.9920  -26.2693
            17  O1a O    22.2054  -22.7665
            18  O1a O    24.6324  -22.7668
            19  N1a N    25.8458  -26.2695
            20  O1a O    27.0592  -22.7666
            21  O1a O    28.2728  -26.2692
            22  O5a O    29.4862  -22.7665
            23  C5a C    31.9132  -22.7669
            24  N1a N    33.1516  -22.0516
            25  O5a O    30.7247  -22.0806
            26  N1a N    36.7412  -24.1822
            27  O5a O    35.5538  -26.2691
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    3  16 1 #Down
            16    4  17 1 #Up
            17    6  18 1 #Down
            18    7  19 1 #Up
            19    8  20 1 #Down
            20    9  21 1 #Down
            21   10  22 2
            22   12  23 1 #Down
            23   23  24 1
            24   23  25 2
            25   15  26 1
            26   15  27 2

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