MiMeDB: Showing metabocard for Rhizocticin D (MMDBc0010251)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:29:04 UTC

Update Date

2022-08-31 06:31:31 UTC

Metabolite ID

MMDBc0010251

Metabolite Identification

Common Name

Rhizocticin D

Description

Rhizocticin D, also known as leu-arg-appa, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Rhizocticin D.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152104292D          

 36 35  0  0  1  0            999 V2000
   -4.5079   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -1.0461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3645    1.0164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7934    2.6664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0789   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -1.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    2.2539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224    1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    0.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    2.2539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2224    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    4.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    3.9039    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    4.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079    3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934   -0.6336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079    3.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
 10  1  1  0  0  0  0
 10  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 11 18  1  6  0  0  0
 19 17  2  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 21 17  1  0  0  0  0
 12 22  1  1  0  0  0
 22 14  2  0  0  0  0
 13 23  1  1  0  0  0
 23 15  2  0  0  0  0
 14 24  1  4  0  0  0
 15 25  1  4  0  0  0
 26 16  2  0  0  0  0
 27 16  1  0  0  0  0
 31  8  1  0  0  0  0
 31 28  1  0  0  0  0
 31 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32  4  1  0  0  0  0
 33  6  1  0  0  0  0
 11 34  1  6  0  0  0
 12 35  1  1  0  0  0
 13 36  1  1  0  0  0
M  END


  Mrv1652305152104292D          

 36 35  0  0  1  0            999 V2000
   -4.5079   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -1.0461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3645    1.0164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7934    2.6664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0789   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079    2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -1.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    2.2539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224    1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    0.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    2.2539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2224    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    4.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    3.9039    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    4.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079    3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934   -0.6336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079    3.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
 10  1  1  0  0  0  0
 10  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 11 18  1  6  0  0  0
 19 17  2  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 21 17  1  0  0  0  0
 12 22  1  1  0  0  0
 22 14  2  0  0  0  0
 13 23  1  1  0  0  0
 23 15  2  0  0  0  0
 14 24  1  4  0  0  0
 15 25  1  4  0  0  0
 26 16  2  0  0  0  0
 27 16  1  0  0  0  0
 31  8  1  0  0  0  0
 31 28  1  0  0  0  0
 31 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32  4  1  0  0  0  0
 33  6  1  0  0  0  0
 11 34  1  6  0  0  0
 12 35  1  1  0  0  0
 13 36  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0010251

> <DATABASE_NAME>
MIME

> <SMILES>
[H]\C(CP(O)(O)=O)=C(/[H])[C@]([H])(N=C(O)[C@]([H])(CCCNC(N)=N)N=C(O)[C@@]([H])(N)CC(C)C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H33N6O7P/c1-10(2)9-11(18)14(24)22-12(5-3-7-21-17(19)20)15(25)23-13(16(26)27)6-4-8-31(28,29)30/h4,6,10-13H,3,5,7-9,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H4,19,20,21)(H2,28,29,30)/b6-4-/t11-,12-,13-/m0/s1

> <INCHI_KEY>
CJJARRUKCLRYDP-DCRFLDTMSA-N

> <FORMULA>
C17H33N6O7P

> <MOLECULAR_WEIGHT>
464.46

> <EXACT_MASS>
464.214834425

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
46.037618229789004

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3Z)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid

> <ALOGPS_LOGP>
-1.76

> <JCHEM_LOGP>
-4.112123666876582

> <ALOGPS_LOGS>
-3.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.2114737059587877

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7303846506541056

> <JCHEM_PKA_STRONGEST_BASIC>
11.942355492072853

> <JCHEM_POLAR_SURFACE_AREA>
247.92999999999995

> <JCHEM_REFRACTIVITY>
124.1377

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3Z)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0      -8.415  -5.033   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.747  -5.033   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.746   1.897   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.747   7.287   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.080   2.667   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.081   6.517   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.413   2.667   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.414   6.517   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -7.081  -2.723   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.081  -4.263   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.747  -1.953   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.414   1.897   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -7.081   4.977   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.747  -0.413   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.747   2.667   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -8.415   4.207   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.255   2.667   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      -4.414  -2.723   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       2.255   4.207   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0       3.588   1.897   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0       0.921   1.897   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0      -4.414   0.357   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0      -5.747   4.207   0.000  0.00  0.00           N+0
HETATM   24  O   UNK     0      -7.081   0.357   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -7.081   1.897   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -8.415   2.667   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -9.748   4.977   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -1.746   8.057   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -2.310   5.954   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -3.850   8.621   0.000  0.00  0.00           O+0
HETATM   31  P   UNK     0      -3.080   7.287   0.000  0.00  0.00           P+0
HETATM   32  H   UNK     0      -5.747   8.827   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      -8.415   7.287   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      -7.081  -1.183   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      -4.414   3.437   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      -8.415   5.747   0.000  0.00  0.00           H+0
CONECT    1   10                                                            
CONECT    2   10                                                            
CONECT    3    5    7                                                       
CONECT    4    6    8   32                                                  
CONECT    5    3   12                                                       
CONECT    6    4   13   33                                                  
CONECT    7    3   21                                                       
CONECT    8    4   31                                                       
CONECT    9   10   11                                                       
CONECT   10    1    2    9                                                  
CONECT   11    9   14   18   34                                             
CONECT   12    5   15   22   35                                             
CONECT   13    6   16   23   36                                             
CONECT   14   11   22   24                                                  
CONECT   15   12   23   25                                                  
CONECT   16   13   26   27                                                  
CONECT   17   19   20   21                                                  
CONECT   18   11                                                            
CONECT   19   17                                                            
CONECT   20   17                                                            
CONECT   21    7   17                                                       
CONECT   22   12   14                                                       
CONECT   23   13   15                                                       
CONECT   24   14                                                            
CONECT   25   15                                                            
CONECT   26   16                                                            
CONECT   27   16                                                            
CONECT   28   31                                                            
CONECT   29   31                                                            
CONECT   30   31                                                            
CONECT   31    8   28   29   30                                             
CONECT   32    4                                                            
CONECT   33    6                                                            
CONECT   34   11                                                            
CONECT   35   12                                                            
CONECT   36   13                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   70    0
END

Synonyms

Value	Source
Leu-arg-appa	MeSH
Leucyl-arginyl-2-amino-5-phosphono-3-pentenoic acid	MeSH

Molecular Formula

C₁₇H₃₃N₆O₇P

Average Mass

464.46

Monoisotopic Mass

464.214834425

IUPAC Name

(2S,3Z)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid

Traditional Name

(2S,3Z)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid

CAS Registry Number

Not Available

SMILES

[H]\C(CP(O)(O)=O)=C(/[H])[C@]([H])(N=C(O)[C@]([H])(CCCNC(N)=N)N=C(O)[C@@]([H])(N)CC(C)C)C(O)=O

InChI Identifier

InChI=1S/C17H33N6O7P/c1-10(2)9-11(18)14(24)22-12(5-3-7-21-17(19)20)15(25)23-13(16(26)27)6-4-8-31(28,29)30/h4,6,10-13H,3,5,7-9,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H4,19,20,21)(H2,28,29,30)/b6-4-/t11-,12-,13-/m0/s1

InChI Key

CJJARRUKCLRYDP-DCRFLDTMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Leucine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Fatty amide
N-acyl-amine
Unsaturated fatty acid
Fatty acid
Fatty acyl
Organophosphonic acid derivative
Organophosphonic acid
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Guanidine
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Carboxylic acid
Monocarboxylic acid or derivatives
Amine
Primary aliphatic amine
Organic nitrogen compound
Hydrocarbon derivative
Organonitrogen compound
Carbonyl group
Organooxygen compound
Organophosphorus compound
Primary amine
Organic oxygen compound
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.074 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-4.1	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	11.94	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	247.93 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	124.14 m³·mol⁻¹	ChemAxon
Polarizability	46.04 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Firmicutes	1	Human	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

58837866

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14061807

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Rhizocticin D (MMDBc0010251)

MOL for #<Metabolite:0x00007fecab97c328>

3D MOL for #<Metabolite:0x00007fecab97c328>

3D SDF for #<Metabolite:0x00007fecab97c328>

3D-SDF for #<Metabolite:0x00007fecab97c328>

PDB for #<Metabolite:0x00007fecab97c328>

3D PDB for #<Metabolite:0x00007fecab97c328>

SMILES for #<Metabolite:0x00007fecab97c328>

INCHI for #<Metabolite:0x00007fecab97c328>

Structure for #<Metabolite:0x00007fecab97c328>

3D Structure for #<Metabolite:0x00007fecab97c328>