KEGG   COMPOUND: C11222Help
Entry
C11222                      Compound                               

Name
Geldanamycin
Formula
C29H40N2O9
Exact mass
560.2734
Mol weight
560.6359
Structure
Mol fileKCF fileDB search
Sequence
0 Ahb  1 Mte  2 Mxk  3 Mtd  4 Mtk  5 Mxd  6 Mad  7 Mtn
  Gene
0-3 gdmA1 [UP:Q84G24]; 4-5 gdmA2 [UP:Q84G23]; 6-7 gdmA3
[UP:Q84G22]
  Organism
Streptomyces hygroscopicus
  Type
PK
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  Polyketides and nonribosomal peptides
   Ansamycins
    C11222  Geldanamycin
BRITE hierarchy
Other DBs
CAS: 30562-34-6
PubChem: 13401
ChEBI: 5292
ChEMBL: CHEMBL278315
KNApSAcK: C00018795
PDB-CCD: GDM[PDBj]
NIKKAJI: J21.396I
KCF data Show

ATOM        40
            1   C1x C    36.1538  -27.0967
            2   C1y C    36.1190  -29.1731
            3   C1x C    37.6150  -29.8654
            4   N1x N    40.7796  -27.1070
            5   C5x C    41.9344  -26.4354
            6   C2y C    43.0907  -27.1182
            7   C2x C    45.4409  -29.2152
            8   C2x C    45.4204  -27.1316
            9   C2x C    44.2556  -26.4464
            10  C1y C    44.2753  -29.8792
            11  C2y C    43.0875  -31.8768
            12  C1y C    44.3365  -31.2170
            13  O1a O    39.6542  -29.8390
            14  C1y C    39.6471  -31.1672
            15  C1y C    40.7952  -31.8383
            16  C2x C    41.9574  -31.1740
            17  C1a C    43.1458  -33.2063
            18  O7a O    45.4907  -31.8854
            19  O2a O    42.8779  -29.8654
            20  C1a C    41.7440  -30.5081
            21  C1a C    43.1041  -28.4033
            22  C1a C    40.7873  -33.1711
            23  C1y C    38.3080  -31.1580
            24  O2a O    37.6299  -32.3164
            25  C1a C    38.2940  -33.4747
            26  C1a C    34.9536  -29.8371
            27  C2y C    37.3114  -26.4255
            28  C5x C    38.4658  -27.1017
            29  C2y C    39.6208  -26.4467
            30  C2x C    39.6388  -25.1060
            31  C5x C    38.4913  -24.4298
            32  C2y C    37.3187  -25.0873
            33  O5x O    38.4775  -23.0918
            34  O5x O    38.5264  -28.4316
            35  O5x O    41.9246  -25.0977
            36  O2a O    36.1468  -24.4125
            37  C1a C    34.9954  -25.0765
            38  C7a C    46.7410  -31.1297
            39  O6a O    47.9135  -31.9632
            40  N1a N    46.7333  -29.6747
BOND        41
            1    19  20 1
            2     6  21 1
            3     4   5 1
            4    15  22 1 #Down
            5     6   5 1
            6    14  23 1
            7    10  12 1
            8    23  24 1 #Up
            9    16  11 2
            10   24  25 1
            11    3  23 1
            12   11  12 1
            13    2  26 1 #Down
            14   27  28 1
            15    1  27 1
            16    2   3 1
            17    4  29 1
            18    1   2 1
            19   14  13 1 #Down
            20   14  15 1
            21   27  32 2
            22   28  29 1
            23   29  30 2
            24   30  31 1
            25   31  32 1
            26   15  16 1
            27   31  33 2
            28    6   9 2
            29   28  34 2
            30   11  17 1
            31    5  35 2
            32   10   7 1
            33   32  36 1
            34   12  18 1 #Up
            35   36  37 1
            36    7   8 2
            37   18  38 1
            38   10  19 1 #Up
            39   38  39 2
            40    8   9 1
            41   38  40 1

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