NP-MRD: Showing NP-Card for Actinomycin V (NP0331438)

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Record Information

Version

1.0

Created at

2023-01-12 20:00:39 UTC

Updated at

2024-05-11 14:58:39 UTC

NP-MRD ID

NP0331438

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Actinomycin V

Description

ACTINOMYCIN V belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. It was first documented in 2009 (PMID: 19137288). Based on a literature review a significant number of articles have been published on ACTINOMYCIN V (PMID: 31305144) (PMID: 32807803) (PMID: 34822470) (PMID: 33236226) (PMID: 32824227) (PMID: 31601054).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652301122321002D          

 91 97  0  0  1  0            999 V2000
   12.5331    2.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3273    2.6878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7680    1.9903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3843    1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5600    1.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6494    0.5955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0900   -0.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7064   -0.8324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9144   -0.0691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904   -0.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2301   -0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1112    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2980    0.6613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8574    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0330    1.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2410    2.0891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8003    2.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1840    3.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0083    3.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7433    4.2143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9190    4.1814    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5353    3.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9760    2.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7110    3.4181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4783    4.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6540    4.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8620    5.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1270    4.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2657   -0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2123   -0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9437    1.9574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3090    2.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5352    2.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2220    3.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8658    5.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3181    5.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5443    4.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4051    4.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4921    2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1267    2.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4830    0.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5700   -0.8131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7962   -1.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1615   -0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3007    0.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3877   -0.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7531   -0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8401   -1.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3446   -0.0899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5282   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    0.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3497    0.6701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7534    1.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4838    0.7233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2576    1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2228    4.0210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0489    6.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 11 12  1  0  0  0  0
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  2 25  1  0  0  0  0
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 21 29  1  0  0  0  0
 17 30  1  0  0  0  0
  7 31  1  6  0  0  0
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M  END


  Mrv1652301122321002D          

 91 97  0  0  1  0            999 V2000
   12.5331    2.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3273    2.6878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7680    1.9903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3843    1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5600    1.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6494    0.5955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0900   -0.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7064   -0.8324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9144   -0.0691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904   -0.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2301   -0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1112    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2980    0.6613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8574    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0330    1.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2410    2.0891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8003    2.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0083    3.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7433    4.2143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9190    4.1814    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5353    3.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9760    2.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7110    3.4181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4783    4.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6540    4.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8620    5.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1270    4.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0654    2.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2657   -0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2123   -0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4414   -0.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9437    1.9574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3090    2.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5352    2.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8136    3.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9528    4.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7266    4.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3612    4.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    3.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8658    5.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3181    5.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5443    4.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9097    5.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1358    5.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    5.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6313    3.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4051    4.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0397    3.5388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4921    2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1267    2.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    2.6807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5791    1.8675    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2137    1.3404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0745    0.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7092    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4830    0.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5700   -0.8131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7962   -1.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1615   -0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0489    6.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
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  2 25  1  0  0  0  0
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 17 30  1  0  0  0  0
  7 31  1  6  0  0  0
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 49 90  1  0  0  0  0
 46 91  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0331438

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C3N=C4C(OC3=C(C)C=C2)=C(C)C(=O)C(N)=C4C(=O)N[C@H]2[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]3CC(=O)CN3C(=O)[C@H](NC2=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C62H84N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-33,36-37,42-45,48-49H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t32-,33-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1

> <INCHI_KEY>
GQZJMUMSSGCVFS-IRFLANFNSA-N

> <FORMULA>
C62H84N12O17

> <MOLECULAR_WEIGHT>
1269.421

> <EXACT_MASS>
1268.607739293

$$$$

HEADER    PROTEIN                                 12-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-JAN-23         0                                  
HETATM    1  C   UNK     0      23.395   5.434   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      24.878   5.017   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      25.700   3.715   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      24.984   2.352   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      23.445   2.290   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      25.807   1.050   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      27.345   1.112   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      28.168  -0.190   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      27.452  -1.554   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      29.707  -0.129   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      30.782  -1.231   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      32.163  -0.549   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      31.941   0.975   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      30.423   1.234   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      29.600   2.536   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      28.062   2.475   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      30.317   3.900   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      29.494   5.202   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      30.210   6.565   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      31.749   6.626   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0      29.388   7.867   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      27.849   7.805   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      27.133   6.442   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      27.955   5.140   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      25.594   6.381   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      27.026   9.107   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      25.487   9.046   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      27.742  10.471   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      30.104   9.230   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      31.855   3.961   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      26.629  -0.252   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      26.530  -1.789   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      25.091  -0.313   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      24.161   3.654   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0      22.977   4.638   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      21.532   4.104   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      23.237   6.156   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      22.052   7.140   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      22.312   8.658   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      23.756   9.192   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      24.941   8.208   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      24.681   6.690   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      24.016  10.710   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      21.127   9.642   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      19.683   9.108   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      18.498  10.092   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      17.054   9.558   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      15.869  10.542   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      16.794   8.040   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      17.978   7.056   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      19.423   7.590   0.000  0.00  0.00           C+0
HETATM   52  N   UNK     0      20.608   6.606   0.000  0.00  0.00           N+0
HETATM   53  C   UNK     0      17.719   5.538   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      18.903   4.554   0.000  0.00  0.00           O+0
HETATM   55  N   UNK     0      16.274   5.004   0.000  0.00  0.00           N+0
HETATM   56  C   UNK     0      16.014   3.486   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      17.199   2.502   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0      16.939   0.984   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0      18.124   0.000   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      19.568   0.534   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0      17.864  -1.518   0.000  0.00  0.00           C+0
HETATM   62  N   UNK     0      16.419  -2.052   0.000  0.00  0.00           N+0
HETATM   63  C   UNK     0      15.235  -1.068   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0      15.495   0.450   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0      13.790  -1.602   0.000  0.00  0.00           C+0
HETATM   66  N   UNK     0      12.606  -0.618   0.000  0.00  0.00           N+0
HETATM   67  C   UNK     0      11.161  -1.152   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      10.901  -2.670   0.000  0.00  0.00           O+0
HETATM   69  C   UNK     0       9.977  -0.168   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0       8.453  -0.390   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0       7.771   0.991   0.000  0.00  0.00           C+0
HETATM   72  O   UNK     0       6.253   1.251   0.000  0.00  0.00           O+0
HETATM   73  C   UNK     0       8.873   2.066   0.000  0.00  0.00           C+0
HETATM   74  N   UNK     0      10.236   1.350   0.000  0.00  0.00           N+0
HETATM   75  C   UNK     0      11.681   1.884   0.000  0.00  0.00           C+0
HETATM   76  O   UNK     0      12.866   0.900   0.000  0.00  0.00           O+0
HETATM   77  C   UNK     0      11.941   3.402   0.000  0.00  0.00           C+0
HETATM   78  N   UNK     0      13.385   3.936   0.000  0.00  0.00           N+0
HETATM   79  C   UNK     0      14.570   2.952   0.000  0.00  0.00           C+0
HETATM   80  O   UNK     0      14.310   1.434   0.000  0.00  0.00           O+0
HETATM   81  C   UNK     0      10.756   4.386   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      11.016   5.904   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0       9.312   3.852   0.000  0.00  0.00           C+0
HETATM   84  C   UNK     0      12.346  -2.136   0.000  0.00  0.00           C+0
HETATM   85  C   UNK     0      16.160  -3.570   0.000  0.00  0.00           C+0
HETATM   86  C   UNK     0      19.049  -2.502   0.000  0.00  0.00           C+0
HETATM   87  C   UNK     0      18.789  -4.020   0.000  0.00  0.00           C+0
HETATM   88  C   UNK     0      20.493  -1.968   0.000  0.00  0.00           C+0
HETATM   89  C   UNK     0      18.643   3.036   0.000  0.00  0.00           C+0
HETATM   90  N   UNK     0      15.349   7.506   0.000  0.00  0.00           N+0
HETATM   91  C   UNK     0      18.758  11.610   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   25                                                  
CONECT    3    2    4   34                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   31                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   10   15                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   30                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   29                                                  
CONECT   22   21   23   26                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23    2                                                       
CONECT   26   22   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   21                                                            
CONECT   30   17                                                            
CONECT   31    7   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34    3   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   42                                                  
CONECT   38   37   39   52                                                  
CONECT   39   38   40   44                                                  
CONECT   40   39   41   43                                                  
CONECT   41   40   42                                                       
CONECT   42   41   37                                                       
CONECT   43   40                                                            
CONECT   44   39   45                                                       
CONECT   45   44   46   51                                                  
CONECT   46   45   47   91                                                  
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50   90                                                  
CONECT   50   49   51   53                                                  
CONECT   51   50   45   52                                                  
CONECT   52   51   38                                                       
CONECT   53   50   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56                                                       
CONECT   56   55   57   79                                                  
CONECT   57   56   58   89                                                  
CONECT   58   57   59                                                       
CONECT   59   58   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   62   86                                                  
CONECT   62   61   63   85                                                  
CONECT   63   62   64   65                                                  
CONECT   64   63                                                            
CONECT   65   63   66                                                       
CONECT   66   65   67   84                                                  
CONECT   67   66   68   69                                                  
CONECT   68   67                                                            
CONECT   69   67   70   74                                                  
CONECT   70   69   71                                                       
CONECT   71   70   72   73                                                  
CONECT   72   71                                                            
CONECT   73   71   74                                                       
CONECT   74   73   69   75                                                  
CONECT   75   74   76   77                                                  
CONECT   76   75                                                            
CONECT   77   75   78   81                                                  
CONECT   78   77   79                                                       
CONECT   79   78   56   80                                                  
CONECT   80   79                                                            
CONECT   81   77   82   83                                                  
CONECT   82   81                                                            
CONECT   83   81                                                            
CONECT   84   66                                                            
CONECT   85   62                                                            
CONECT   86   61   87   88                                                  
CONECT   87   86                                                            
CONECT   88   86                                                            
CONECT   89   57                                                            
CONECT   90   49                                                            
CONECT   91   46                                                            
MASTER        0    0    0    0    0    0    0    0   91    0  194    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₂H₈₄N₁₂O₁₇

Average Mass

1269.4210 Da

Monoisotopic Mass

1268.60774 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C3N=C4C(OC3=C(C)C=C2)=C(C)C(=O)C(N)=C4C(=O)N[C@H]2[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]3CC(=O)CN3C(=O)[C@H](NC2=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O

InChI Identifier

InChI=1S/C62H84N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-33,36-37,42-45,48-49H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t32-,33-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1

InChI Key

GQZJMUMSSGCVFS-IRFLANFNSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	guangxzh@sina.com	Not Available	Not Available	2023-01-12	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	guangxzh@sina.com	Not Available	Not Available	2023-01-12	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	guangxzh@sina.com	Not Available	Not Available	2023-01-12	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	guangxzh@sina.com	Not Available	Not Available	2023-01-12	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	guangxzh@sina.com	Not Available	Not Available	2023-01-12	View Spectrum
1D NMR	[¹³C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental)	guangxzh@sina.com	Not Available	Not Available	2023-01-12	View Spectrum
1D NMR	[¹³C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental)	guangxzh@sina.com	Not Available	Not Available	2023-01-12	View Spectrum
1D NMR	[¹H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	guangxzh@sina.com	Not Available	Not Available	2023-01-12	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600, CD₃OD, simulated)	Not Available	Not Available	Not Available	2024-05-11	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
antibioticus H41-55		Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Depsipeptides

Direct Parent

Cyclic depsipeptides

Alternative Parents

Substituents

Cyclic depsipeptide
Macrolide lactam
Phenoxazine
Macrolactam
Alpha-amino acid ester
N-acyl-alpha amino acid or derivatives
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Benzenoid
Pyrrolidone
3-pyrrolidone
Heteroaromatic compound
Vinylogous amide
Pyrrolidine
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Carboxylic acid ester
Ketone
Lactam
Lactone
Cyclic ketone
Secondary carboxylic acid amide
Oxacycle
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Organic oxide
Organic nitrogen compound
Amine
Organonitrogen compound
Organooxygen compound
Primary amine
Organopnictogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8661981

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10486576

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lu DD, Ren JW, Du QQ, Song YJ, Lin SQ, Li X, Li EW, Xie WD: p-Terphenyls and actinomycins from a Streptomyces sp. associated with the larva of mud dauber wasp. Nat Prod Res. 2021 Jun;35(11):1869-1873. doi: 10.1080/14786419.2019.1639177. Epub 2019 Jul 15. [PubMed:31305144 ]
Silva LJ, Crevelin EJ, Souza DT, Lacerda-Junior GV, de Oliveira VM, Ruiz ALTG, Rosa LH, Moraes LAB, Melo IS: Actinobacteria from Antarctica as a source for anticancer discovery. Sci Rep. 2020 Aug 17;10(1):13870. doi: 10.1038/s41598-020-69786-2. [PubMed:32807803 ]
Jiang S, Zhang E, Ruan H, Ma J, Zhao X, Zhu Y, Xie X, Han N, Li J, Zhang H, Xie W, Li X: Actinomycin V Induces Apoptosis Associated with Mitochondrial and PI3K/AKT Pathways in Human CRC Cells. Mar Drugs. 2021 Oct 22;19(11):599. doi: 10.3390/md19110599. [PubMed:34822470 ]
Overacker RD, Plitzko B, Loesgen S: Biolayer interferometry provides a robust method for detecting DNA binding small molecules in microbial extracts. Anal Bioanal Chem. 2021 Feb;413(4):1159-1171. doi: 10.1007/s00216-020-03079-5. Epub 2020 Nov 25. [PubMed:33236226 ]
Jia FJ, Han Z, Ma JH, Jiang SQ, Zhao XM, Ruan H, Xie WD, Li X: Involvement of Reactive Oxygen Species in the Hepatorenal Toxicity of Actinomycin V In Vitro and In Vivo. Mar Drugs. 2020 Aug 15;18(8):428. doi: 10.3390/md18080428. [PubMed:32824227 ]
Lin SQ, Jia FJ, Zhang CY, Liu FY, Ma JH, Han Z, Xie WD, Li X: Actinomycin V Suppresses Human Non-Small-Cell Lung Carcinoma A549 Cells by Inducing G2/M Phase Arrest and Apoptosis via the p53-Dependent Pathway. Mar Drugs. 2019 Oct 9;17(10):572. doi: 10.3390/md17100572. [PubMed:31601054 ]
Lin S, Zhang C, Liu F, Ma J, Jia F, Han Z, Xie W, Li X: Actinomycin V Inhibits Migration and Invasion via Suppressing Snail/Slug-Mediated Epithelial-Mesenchymal Transition Progression in Human Breast Cancer MDA-MB-231 Cells In Vitro. Mar Drugs. 2019 May 24;17(5):305. doi: 10.3390/md17050305. [PubMed:31137656 ]
Liu CW, Lu YY, Yang ZZ, Xing YY, Xi T: Rapid screening and characterization of metabolites from a marine-derived actinomycete by high-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry. Rapid Commun Mass Spectrom. 2010 Dec 15;24(23):3413-8. doi: 10.1002/rcm.4744. [PubMed:21072796 ]
Singh V, Khan M, Khan S, Tripathi CK: Optimization of actinomycin V production by Streptomyces triostinicus using artificial neural network and genetic algorithm. Appl Microbiol Biotechnol. 2009 Feb;82(2):379-85. doi: 10.1007/s00253-008-1828-0. Epub 2009 Jan 10. [PubMed:19137288 ]

Liu T, Xu T, Hu C, Sun D, Zhou G: Hemiactinomycin, an undescribed intermediate of actinomycin biosynthesis from an actinomycetes strain Streptomyces antibioticus H41-55. Nat Prod Res. 2024 May;38(9):1577-1582. doi: 10.1080/14786419.2022.2161541. Epub 2022 Dec 23. [PubMed:36564053 ]

Showing NP-Card for Actinomycin V (NP0331438)

MOL for NP0331438 (Actinomycin V)

3D MOL for NP0331438 (Actinomycin V)

3D SDF for NP0331438 (Actinomycin V)

3D-SDF for NP0331438 (Actinomycin V)

PDB for NP0331438 (Actinomycin V)

3D PDB for NP0331438 (Actinomycin V)

SMILES for NP0331438 (Actinomycin V)

INCHI for NP0331438 (Actinomycin V)

Structure for NP0331438 (Actinomycin V)

3D Structure for NP0331438 (Actinomycin V)