NP-MRD: Showing NP-Card for Meliponamycin B (NP0331276)

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Record Information

Version

1.0

Created at

2022-12-22 08:13:48 UTC

Updated at

2024-04-19 09:35:17 UTC

NP-MRD ID

NP0331276

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Meliponamycin B

Description

Meliponamycin B 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 2020 (PMID: 32073851). Based on a literature review a significant number of articles have been published on Meliponamycin B (PMID: 37078450) (PMID: 37078444) (PMID: 37078443) (PMID: 37078154).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652312222209132D          

 56 58  0  0  1  0            999 V2000
    1.9933    2.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8139    2.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    1.5485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9708    1.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071    0.7098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9906    1.1718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8808    0.1169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2879   -0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4545   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548   -0.2756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8285   -0.8684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6288   -0.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8554    0.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6557    0.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3110   -0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1341   -0.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3345   -1.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6353   -1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3499   -2.4467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5496   -2.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230   -3.4403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5227   -3.6407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961   -4.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4958   -4.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9221   -4.0415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1487   -3.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -2.6554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8016   -1.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6019   -1.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1756   -2.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2279   -1.2692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276   -1.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2010   -2.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747   -2.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9490   -3.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1218   -4.2419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8698   -5.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070   -2.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967   -4.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9759   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0997   -1.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6637    0.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8650    1.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0551   -0.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2817    0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2898    0.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049   -0.9845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4737    0.6906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229    0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0023    0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6660    0.8806    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8454    0.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3612    0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6975   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5406    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043    1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  1  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 11 29  1  0  0  0  0
 29 30  2  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 34  1  0  0  0  0
 26 35  2  0  0  0  0
 25 36  1  0  0  0  0
 23 37  2  0  0  0  0
 22 38  1  0  0  0  0
 21 39  1  6  0  0  0
 20 40  2  0  0  0  0
 17 41  2  0  0  0  0
 16 42  1  0  0  0  0
 14 43  2  0  0  0  0
 12 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
  9 47  2  0  0  0  0
  7 48  1  1  0  0  0
  5 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
  3 51  1  0  0  0  0
 51 52  1  6  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
M  END


  Mrv1652312222209132D          

 56 58  0  0  1  0            999 V2000
    1.9933    2.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8139    2.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    1.5485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9708    1.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071    0.7098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9906    1.1718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8808    0.1169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2879   -0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4545   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548   -0.2756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8285   -0.8684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6288   -0.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8554    0.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6557    0.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3110   -0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1341   -0.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3345   -1.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6353   -1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3499   -2.4467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5496   -2.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230   -3.4403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5227   -3.6407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961   -4.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4958   -4.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9221   -4.0415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1487   -3.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -2.6554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8016   -1.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6019   -1.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1756   -2.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2279   -1.2692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276   -1.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2010   -2.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747   -2.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9490   -3.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1218   -4.2419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8698   -5.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070   -2.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967   -4.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9759   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0997   -1.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6637    0.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8650    1.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0551   -0.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2817    0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2898    0.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049   -0.9845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4737    0.6906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229    0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0023    0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6660    0.8806    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8454    0.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3612    0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6975   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5406    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043    1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  1  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 11 29  1  0  0  0  0
 29 30  2  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 34  1  0  0  0  0
 26 35  2  0  0  0  0
 25 36  1  0  0  0  0
 23 37  2  0  0  0  0
 22 38  1  0  0  0  0
 21 39  1  6  0  0  0
 20 40  2  0  0  0  0
 17 41  2  0  0  0  0
 16 42  1  0  0  0  0
 14 43  2  0  0  0  0
 12 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
  9 47  2  0  0  0  0
  7 48  1  1  0  0  0
  5 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
  3 51  1  0  0  0  0
 51 52  1  6  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0331276

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C[C@H]1CC[C@@](O)(O[C@@H]1CC)[C@](C)(O)C(=O)N[C@H]1C(OC(=O)CN(C)C(=O)CNC(=O)[C@H](C)N(C)C(=O)CN(O)C(=O)[C@H]2CCCNN2C1=O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C37H63N7O12/c1-10-22(5)17-24-14-15-37(53,56-26(24)11-2)36(7,52)35(51)40-30-31(21(3)4)55-29(47)20-41(8)27(45)18-38-32(48)23(6)42(9)28(46)19-43(54)33(49)25-13-12-16-39-44(25)34(30)50/h21-26,30-31,39,52-54H,10-20H2,1-9H3,(H,38,48)(H,40,51)/t22?,23-,24+,25+,26+,30-,31?,36+,37+/m0/s1

> <INCHI_KEY>
HCXVKGDEBMAIPN-VPORHSSRSA-N

> <FORMULA>
C37H63N7O12

> <MOLECULAR_WEIGHT>
797.948

> <EXACT_MASS>
797.453470497

$$$$

HEADER    PROTEIN                                 22-DEC-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-DEC-22         0                                  
HETATM    1  C   UNK     0       3.721   4.456   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.253   4.297   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.880   2.891   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       7.412   2.731   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.040   1.325   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       9.316   2.187   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       9.111   0.218   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.004  -0.853   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.182  -0.888   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      11.676  -0.514   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      12.746  -1.621   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.240  -1.247   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      14.663   0.234   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      16.157   0.608   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.381  -0.551   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      18.917  -0.657   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      19.291  -2.151   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.986  -2.968   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      17.453  -4.567   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      15.959  -4.941   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      15.536  -6.422   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      14.042  -6.796   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      13.619  -8.277   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.125  -8.651   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      11.055  -7.544   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      11.478  -6.063   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.407  -4.957   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      10.830  -3.476   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      12.324  -3.102   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      13.394  -4.209   0.000  0.00  0.00           O+0
HETATM   31  N   UNK     0       9.759  -2.369   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0       8.265  -2.743   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.842  -4.224   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.913  -5.331   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      12.971  -5.689   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       9.561  -7.918   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      14.690  -9.383   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      13.826  -5.271   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      16.607  -7.529   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      14.888  -3.834   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      20.719  -2.726   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      19.906   0.524   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      16.548   2.097   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      13.169  -0.140   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      13.592   1.340   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      11.741   0.435   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       8.969  -1.838   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      10.218   1.289   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       7.136   0.078   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       5.604   0.238   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       4.976   1.644   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       3.445   1.803   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       2.541   0.556   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       3.169  -0.850   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       1.009   0.716   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       0.381   2.122   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   51                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7   49                                             
CONECT    6    5                                                            
CONECT    7    5    8    9   48                                             
CONECT    8    7                                                            
CONECT    9    7   10   47                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   29                                                  
CONECT   12   11   13   44                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   43                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   42                                                  
CONECT   17   16   18   41                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   40                                                  
CONECT   21   20   22   39                                                  
CONECT   22   21   23   38                                                  
CONECT   23   22   24   37                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   36                                                  
CONECT   26   25   27   35                                                  
CONECT   27   26   28   34                                                  
CONECT   28   27   29   31                                                  
CONECT   29   28   11   30                                                  
CONECT   30   29                                                            
CONECT   31   28   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   27                                                       
CONECT   35   26                                                            
CONECT   36   25                                                            
CONECT   37   23                                                            
CONECT   38   22                                                            
CONECT   39   21                                                            
CONECT   40   20                                                            
CONECT   41   17                                                            
CONECT   42   16                                                            
CONECT   43   14                                                            
CONECT   44   12   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
CONECT   47    9                                                            
CONECT   48    7                                                            
CONECT   49    5   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50    3   52                                                  
CONECT   52   51   53                                                       
CONECT   53   52   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56                                                       
CONECT   56   55                                                            
MASTER        0    0    0    0    0    0    0    0   56    0  116    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₆₃N₇O₁₂

Average Mass

797.9480 Da

Monoisotopic Mass

797.45347 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCC(C)C[C@H]1CC[C@@](O)(O[C@@H]1CC)[C@](C)(O)C(=O)N[C@H]1C(OC(=O)CN(C)C(=O)CNC(=O)[C@H](C)N(C)C(=O)CN(O)C(=O)[C@H]2CCCNN2C1=O)C(C)C

InChI Identifier

InChI=1S/C37H63N7O12/c1-10-22(5)17-24-14-15-37(53,56-26(24)11-2)36(7,52)35(51)40-30-31(21(3)4)55-29(47)20-41(8)27(45)18-38-32(48)23(6)42(9)28(46)19-43(54)33(49)25-13-12-16-39-44(25)34(30)50/h21-26,30-31,39,52-54H,10-20H2,1-9H3,(H,38,48)(H,40,51)/t22?,23-,24+,25+,26+,30-,31?,36+,37+/m0/s1

InChI Key

HCXVKGDEBMAIPN-VPORHSSRSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	mtpupo@fcfrp.usp.br	Not Available	Not Available	2022-12-22	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	mtpupo@fcfrp.usp.br	Not Available	Not Available	2022-12-22	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	mtpupo@fcfrp.usp.br	Not Available	Not Available	2022-12-22	View Spectrum
1D NMR	[¹H, ] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	mtpupo@fcfrp.usp.br	Not Available	Not Available	2022-12-22	View Spectrum
1D NMR	[¹H, ] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	mtpupo@fcfrp.usp.br	Not Available	Not Available	2022-12-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500.13 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500.13 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

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
N-acyl-alpha amino acid or derivatives
Macrolactam
Alpha-amino acid ester
Alpha-amino acid or derivatives
Pyridazine
Oxane
1,2-diazinane
Tertiary carboxylic acid amide
Tertiary alcohol
Secondary carboxylic acid amide
Lactone
Lactam
Hydroxamic acid
Hemiacetal
Carboxylic acid hydrazide
Carboxylic acid ester
Carboxamide group
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

156581036

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Russi AE, Shivakumar P, Luo Z, Bezerra J: Plasticity between ILC2 subsets and amphiregulin expression regulate epithelial repair in biliary atresia. Hepatology. 2023 Apr 21. doi: 10.1097/HEP.0000000000000418. [PubMed:37078450 ]
Hlady RA, Robertson KD: Epigenetic memory of environmental exposures as a mediator of liver disease. Hepatology. 2023 Apr 21. doi: 10.1097/HEP.0000000000000414. [PubMed:37078444 ]
Ufere NN: Home is where the liver is?: moving beyond readmissions to time at home as a patient-centered and pragmatic quality measure in cirrhosis care. Hepatology. 2023 Apr 21. doi: 10.1097/HEP.0000000000000415. [PubMed:37078443 ]
Arnon R, Rubinov A: [[PTOSIS AS A SIGN OF A SYSTEMIC DISEASE]]. Harefuah. 2023 Feb;162(2):119-121. [PubMed:37078154 ]
Menegatti C, Lourenzon VB, Rodriguez-Hernandez D, da Paixao Melo WG, Ferreira LLG, Andricopulo AD, do Nascimento FS, Pupo MT: Meliponamycins: Antimicrobials from Stingless Bee-Associated Streptomyces sp. J Nat Prod. 2020 Mar 27;83(3):610-616. doi: 10.1021/acs.jnatprod.9b01011. Epub 2020 Feb 19. [PubMed:32073851 ]

Showing NP-Card for Meliponamycin B (NP0331276)

MOL for NP0331276 (Meliponamycin B)

3D MOL for NP0331276 (Meliponamycin B)

3D SDF for NP0331276 (Meliponamycin B)

3D-SDF for NP0331276 (Meliponamycin B)

PDB for NP0331276 (Meliponamycin B)

3D PDB for NP0331276 (Meliponamycin B)

SMILES for NP0331276 (Meliponamycin B)

INCHI for NP0331276 (Meliponamycin B)

Structure for NP0331276 (Meliponamycin B)

3D Structure for NP0331276 (Meliponamycin B)