KEGG   COMPOUND: C12045Help
Entry
C12045                      Compound                               

Name
Ansamitocin P-3;
Ansamitosin P-3;
Antibiotic C15003P3;
C15003P3;
Maytansinol isobutyrate;
2'-De(acetylmethylamino)-2'-methylmaytansine
Formula
C32H43ClN2O9
Exact mass
634.2657
Mol weight
635.1448
Structure
Mol fileKCF fileDB search
Sequence
0 Ahb  1 Mtd  2 Mad  3 Mxn  4 Mak  5 Mtd  6 Mtk  7 Man
  Gene
0-2 asmA [UP:Q8KUH3]; 3-4 asmB [UP:Q8KUH4]; 5 asmC [UP:Q8KUF5];
6-7 asmD [UP:Q8KUF6]
  Organism
Actinosynnema pretiosum (subsp. auranticum)
  Type
PK
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01052  Type I polyketide structures
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
Enzyme
2.1.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C12045  Ansamitocin P3
BRITE hierarchy
Other DBs
CAS: 66584-72-3
PubChem: 14200
ChEBI: 29515
ChEMBL: CHEMBL507305
LIPIDMAPS: LMPK04000039
KNApSAcK: C00018269
NIKKAJI: J18.568J
KCF data Show

ATOM        44
            1   C8y C    14.5212  -15.8420
            2   C8x C    14.5212  -17.2355
            3   C8y C    15.7058  -17.9322
            4   C8x C    16.9600  -17.2355
            5   C8y C    16.9600  -15.8420
            6   C8y C    15.7058  -15.1451
            7   C1y C    24.2069  -17.2355
            8   C1x C    22.9527  -17.9322
            9   C1z C    22.9527  -19.3259
            10  C1y C    21.7680  -20.0227
            11  C2x C    20.5139  -19.3259
            12  C2x C    19.3291  -20.0227
            13  C2x C    18.1447  -19.3259
            14  C2y C    16.8905  -20.0227
            15  O2a O    21.7680  -21.4164
            16  C1x C    15.7058  -19.3259
            17  C1a C    16.8905  -21.4164
            18  C1y C    24.2069  -15.8420
            19  N1y N    17.9355  -14.6573
            20  C5x C    19.3291  -14.6573
            21  C1x C    20.0260  -13.4030
            22  C1y C    21.4198  -13.4030
            23  C1z C    22.1165  -14.5875
            24  C1y C    23.5100  -14.5875
            25  O5x O    20.0260  -15.8420
            26  O7a O    22.1165  -12.2184
            27  C1a C    21.4198  -15.7721
            28  C1a C    25.5307  -15.4934
            29  O2a O    13.3115  -15.1500
            30  X   Cl   15.6887  -13.7515
            31  C1a C    20.5583  -22.1082
            32  C1a C    12.0739  -15.8708
            33  N1x N    24.1647  -20.0257
            34  C7x C    25.3770  -19.3259
            35  O7x O    25.3770  -17.9322
            36  O6a O    26.6053  -20.0353
            37  O1a O    22.9527  -20.7256
            38  C7a C    23.5248  -12.2296
            39  C1c C    24.2248  -11.0396
            40  O6a O    24.2252  -13.4652
            41  C1a C    25.6255  -11.0509
            42  C1a C    23.5441   -9.8387
            43  O2x O    22.8166  -13.3751
            44  C1a C    17.9355  -13.2573
BOND        47
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   10  15 1 #Down
            15   14  16 1
            16   16   3 1
            17   14  17 1
            18    7  18 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  18 1
            25   20  25 2
            26   22  26 1 #Down
            27   23  27 1 #Up
            28   18  28 1 #Down
            29    5  19 1
            30    1  29 1
            31    6  30 1
            32   15  31 1
            33   29  32 1
            34    9  33 1
            35   33  34 1
            36   34  35 1
            37    7  35 1
            38   34  36 2
            39    9  37 1 #Down
            40   26  38 1
            41   38  39 1
            42   38  40 2
            43   39  41 1
            44   39  42 1
            45   23  43 1
            46   43  24 1
            47   19  44 1

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