MiMeDB: Showing metabocard for cob(II)inamide (MMDBc0055825)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:07:54 UTC

Update Date

2025-10-07 16:09:23 UTC

Metabolite ID

MMDBc0055825

Metabolite Identification

Common Name

cob(II)inamide

Description

cob(II)inamide is a cobalt-containing metabolite classified as a member of the cobalamin (vitamin B12) chemical class. Its chemical structure features a cobalt ion coordinated to a corrin ring, which is characteristic of cobalamin derivatives. In biochemical pathways, cob(II)inamide serves as a precursor to cob(II)alamin and is involved in various enzymatic reactions. For instance, studies have shown that EutT, an enzyme, interacts with cob(II)inamide during the reduction of Co(II)Cbl, highlighting its role in substrate specificity and mechanism (PMID:30071158 ). Additionally, cob(II)inamide does not promote ligand dissociation in the presence of EutT, indicating its stability as a substrate analogue (PMID:25914129 ). Furthermore, it has been observed that cob(II)inamide can form derivatives through interactions with coenzyme analogs, which lack the nucleotide moiety, leading to the cleavage of the cobalt-carbon bond (PMID:9537996 ). Its reactivity has been explored in the context of radical chemistry, where it participates in alkylation reactions and exhibits diastereomeric preferences (PMID:11669778 ). Overall, cob(II)inamide plays a significant role in the chemistry of cobalamin derivatives and their associated biological pathways.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222072D          

 74 77  0  0  1  0            999 V2000
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M  CHG  2  49  -1  68   2
M  END


  Mrv1652306172222072D          

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 43 29  1  0  0  0  0
 44  4  1  0  0  0  0
 44  5  1  0  0  0  0
 44 27  1  0  0  0  0
 44 31  1  0  0  0  0
 45  6  1  1  0  0  0
 45 17  1  6  0  0  0
 45 29  1  0  0  0  0
 45 41  1  0  0  0  0
 46  7  1  6  0  0  0
 46 20  1  1  0  0  0
 46 26  1  0  0  0  0
 46 42  1  0  0  0  0
 47  8  1  6  0  0  0
 47 21  1  1  0  0  0
 47 28  1  0  0  0  0
 48  9  1  6  0  0  0
 48 43  1  0  0  0  0
 48 47  1  0  0  0  0
 49 32  1  0  0  0  0
 50 33  2  0  0  0  0
 51 34  2  0  0  0  0
 52 35  2  0  0  0  0
 53 36  2  0  0  0  0
 54 37  2  0  0  0  0
 55 22  1  4  0  0  0
 55 38  2  0  0  0  0
 56 30  1  0  0  0  0
 56 42  2  0  0  0  0
 57 31  2  0  0  0  0
 57 39  1  0  0  0  0
 58 41  2  0  0  0  0
 58 43  1  0  0  0  0
 59 40  1  0  0  0  0
 59 48  1  0  0  0  0
 23 60  1  6  0  0  0
 61 32  2  0  0  0  0
 62 33  1  0  0  0  0
 63 34  1  0  0  0  0
 64 35  1  0  0  0  0
 65 36  1  0  0  0  0
 66 37  1  0  0  0  0
 67 38  1  0  0  0  0
 23 69  1  6  0  0  0
 26 70  1  1  0  0  0
 27 71  1  6  0  0  0
 28 72  1  1  0  0  0
 29 73  1  6  0  0  0
 43 74  1  1  0  0  0
M  CHG  2  49  -1  68   2
M  END
> <DATABASE_ID>
MMDBc0055825

> <DATABASE_NAME>
MIME

> <SMILES>
[Co++].[H][C@](C)(O)CN=C(O)CC[C@@]1(C)C2=N[C@]([H])([C@]1([H])CC(O)=N)[C@]1(C)NC(=C(C)C3=NC(=CC4=NC(=C2C)[C@@]([H])(CCC(O)=N)C4(C)C)[C@@]([H])(CCC([NH-])=O)[C@]3(C)CC(O)=N)[C@@]([H])(CCC(O)=N)[C@]1(C)CC(O)=N

> <INCHI_IDENTIFIER>
InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1

> <INCHI_KEY>
GFVWZOGCSKVPRA-JFYQDRLCSA-M

> <FORMULA>
C48H72CoN11O8

> <MOLECULAR_WEIGHT>
990.106

> <EXACT_MASS>
989.489179

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
140

> <JCHEM_AVERAGE_POLARIZABILITY>
100.6225522169776

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
14

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda2-cobalt(2+) ion 3-[(1R,2R,3S,4S,8S,9S,14S,18R,19R)-4,14-bis[2-(C-hydroxycarbonimidoyl)ethyl]-3,8,19-tris[(C-hydroxycarbonimidoyl)methyl]-18-(2-{[(2R)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-9-yl]propan-1-aminide

> <JCHEM_LOGP>
-2.627622796061467

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
5.3627243789326995

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.974569288744145

> <JCHEM_PKA_STRONGEST_BASIC>
9.068846447579347

> <JCHEM_POLAR_SURFACE_AREA>
359.6300000000001

> <JCHEM_REFRACTIVITY>
308.41299999999984

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
lambda2-cobalt(2+) ion 3-[(1R,2R,3S,4S,8S,9S,14S,18R,19R)-4,14-bis[2-(C-hydroxycarbonimidoyl)ethyl]-3,8,19-tris(C-hydroxycarbonimidoylmethyl)-18-(2-{[(2R)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-9-yl]propan-1-aminide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0      17.559   4.297   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.781   1.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.459  -6.338   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.889  -1.798   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.309  -0.475   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.164  -2.488   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.614  -3.343   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.967  -7.005   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.109  -5.996   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.411  -1.050   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.188  -1.670   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.185  -8.476   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.794  -1.727   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.466  -3.030   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.002  -9.781   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.783  -0.421   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.259  -0.637   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.489  -4.689   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.155   0.417   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.657  -4.965   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.486  -8.438   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.459   2.653   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.983   2.869   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.646   0.040   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.353  -5.084   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.867  -1.910   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.370  -0.365   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.906  -7.115   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.418  -3.582   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.314  -1.381   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.460   1.235   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.072  -0.867   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.927  -3.086   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.281 -11.142   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.983  -4.314   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.789  -5.494   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.847  -9.160   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.359   1.008   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.946   1.064   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.229  -5.732   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.323  -1.344   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.404  -3.871   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       8.893  -3.798   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       4.834  -0.259   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      10.683  -2.065   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       0.923  -3.449   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       7.431  -6.899   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       7.697  -5.382   0.000  0.00  0.00           C+0
HETATM   49  N   UNK     0      -4.455  -1.544   0.000  0.00  0.00           N-1
HETATM   50  N   UNK     0       4.110  -1.781   0.000  0.00  0.00           N+0
HETATM   51  N   UNK     0       3.742 -11.197   0.000  0.00  0.00           N+0
HETATM   52  N   UNK     0      13.405  -2.834   0.000  0.00  0.00           N+0
HETATM   53  N   UNK     0      -1.055  -7.011   0.000  0.00  0.00           N+0
HETATM   54  N   UNK     0      10.152  -8.342   0.000  0.00  0.00           N+0
HETATM   55  N   UNK     0      14.883   1.224   0.000  0.00  0.00           N+0
HETATM   56  N   UNK     0       3.263  -2.594   0.000  0.00  0.00           N+0
HETATM   57  N   UNK     0       5.765   2.052   0.000  0.00  0.00           N+0
HETATM   58  N   UNK     0       8.216  -2.415   0.000  0.00  0.00           N+0
HETATM   59  N   UNK     0       6.336  -4.661   0.000  0.00  0.00           N+0
HETATM   60  O   UNK     0      17.933   1.656   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      -2.966   0.669   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0       4.206  -4.446   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0       6.099 -12.447   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0      14.054  -5.421   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0      -1.970  -4.505   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0       8.903 -10.699   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      12.409   2.220   0.000  0.00  0.00           O+0
HETATM   68 Co   UNK     0      -5.838  -2.220   0.000  0.00  0.00          Co+2
HETATM   69  H   UNK     0      16.034   4.081   0.000  0.00  0.00           H+0
HETATM   70  H   UNK     0       1.053  -0.381   0.000  0.00  0.00           H+0
HETATM   71  H   UNK     0       7.904  -0.229   0.000  0.00  0.00           H+0
HETATM   72  H   UNK     0       4.366  -7.090   0.000  0.00  0.00           H+0
HETATM   73  H   UNK     0       9.918  -5.039   0.000  0.00  0.00           H+0
HETATM   74  H   UNK     0       7.360  -3.651   0.000  0.00  0.00           H+0
CONECT    1   23                                                            
CONECT    2   24                                                            
CONECT    3   25                                                            
CONECT    4   44                                                            
CONECT    5   44                                                            
CONECT    6   45                                                            
CONECT    7   46                                                            
CONECT    8   47                                                            
CONECT    9   48                                                            
CONECT   10   13   26                                                       
CONECT   11   14   27                                                       
CONECT   12   15   28                                                       
CONECT   13   10   32                                                       
CONECT   14   11   33                                                       
CONECT   15   12   34                                                       
CONECT   16   17   38                                                       
CONECT   17   16   45                                                       
CONECT   18   29   35                                                       
CONECT   19   30   31                                                       
CONECT   20   36   46                                                       
CONECT   21   37   47                                                       
CONECT   22   23   55                                                       
CONECT   23    1   22   60   69                                             
CONECT   24    2   39   41                                                  
CONECT   25    3   40   42                                                  
CONECT   26   10   30   46   70                                             
CONECT   27   11   39   44   71                                             
CONECT   28   12   40   47   72                                             
CONECT   29   18   43   45   73                                             
CONECT   30   19   26   56                                                  
CONECT   31   19   44   57                                                  
CONECT   32   13   49   61                                                  
CONECT   33   14   50   62                                                  
CONECT   34   15   51   63                                                  
CONECT   35   18   52   64                                                  
CONECT   36   20   53   65                                                  
CONECT   37   21   54   66                                                  
CONECT   38   16   55   67                                                  
CONECT   39   24   27   57                                                  
CONECT   40   25   28   59                                                  
CONECT   41   24   45   58                                                  
CONECT   42   25   46   56                                                  
CONECT   43   29   48   58   74                                             
CONECT   44    4    5   27   31                                             
CONECT   45    6   17   29   41                                             
CONECT   46    7   20   26   42                                             
CONECT   47    8   21   28   48                                             
CONECT   48    9   43   47   59                                             
CONECT   49   32                                                            
CONECT   50   33                                                            
CONECT   51   34                                                            
CONECT   52   35                                                            
CONECT   53   36                                                            
CONECT   54   37                                                            
CONECT   55   22   38                                                       
CONECT   56   30   42                                                       
CONECT   57   31   39                                                       
CONECT   58   41   43                                                       
CONECT   59   40   48                                                       
CONECT   60   23                                                            
CONECT   61   32                                                            
CONECT   62   33                                                            
CONECT   63   34                                                            
CONECT   64   35                                                            
CONECT   65   36                                                            
CONECT   66   37                                                            
CONECT   67   38                                                            
CONECT   69   23                                                            
CONECT   70   26                                                            
CONECT   71   27                                                            
CONECT   72   28                                                            
CONECT   73   29                                                            
CONECT   74   43                                                            
MASTER        0    0    0    0    0    0    0    0   74    0  154    0
END

Synonyms

Not Available

Molecular Formula

C₄₈H₇₂CoN₁₁O₈

Average Mass

990.106

Monoisotopic Mass

989.489179

IUPAC Name

lambda2-cobalt(2+) ion 3-[(1R,2R,3S,4S,8S,9S,14S,18R,19R)-4,14-bis[2-(C-hydroxycarbonimidoyl)ethyl]-3,8,19-tris[(C-hydroxycarbonimidoyl)methyl]-18-(2-{[(2R)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-9-yl]propan-1-aminide

Traditional Name

lambda2-cobalt(2+) ion 3-[(1R,2R,3S,4S,8S,9S,14S,18R,19R)-4,14-bis[2-(C-hydroxycarbonimidoyl)ethyl]-3,8,19-tris(C-hydroxycarbonimidoylmethyl)-18-(2-{[(2R)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5,7(22),10,12(21),15,17(20)-hexaen-9-yl]propan-1-aminide

CAS Registry Number

Not Available

SMILES

[Co++].[H][C@](C)(O)CN=C(O)CC[C@@]1(C)C2=N[C@]([H])([C@]1([H])CC(O)=N)[C@]1(C)NC(=C(C)C3=NC(=CC4=NC(=C2C)[C@@]([H])(CCC(O)=N)C4(C)C)[C@@]([H])(CCC([NH-])=O)[C@]3(C)CC(O)=N)[C@@]([H])(CCC(O)=N)[C@]1(C)CC(O)=N

InChI Identifier

InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1

InChI Key

GFVWZOGCSKVPRA-JFYQDRLCSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Sub Class

Metallotetrapyrroles

Direct Parent

Metallotetrapyrroles

Alternative Parents

Substituents

Metallotetrapyrrole skeleton
Fatty amide
Fatty acyl
Pyrrolidine
Pyrroline
Carboxamide group
Ketimine
Primary carboxylic acid amide
Secondary alcohol
Secondary carboxylic acid amide
Carbene-type 1,3-dipolar compound
Azacycle
Carboxylic acid derivative
Organic transition metal salt
Alcohol
Organic cobalt salt
Organic oxide
Organopnictogen compound
Carbonyl group
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Imine
Organic nitrogen compound
Organic salt
Hydrocarbon derivative
Organic cation
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-2.6	ChemAxon
pKa (Strongest Acidic)	4.97	ChemAxon
pKa (Strongest Basic)	9.07	ChemAxon
Physiological Charge	3	ChemAxon
Hydrogen Acceptor Count	19	ChemAxon
Hydrogen Donor Count	14	ChemAxon
Polar Surface Area	359.63 Å²	ChemAxon
Rotatable Bond Count	20	ChemAxon
Refractivity	308.41 m³·mol⁻¹	ChemAxon
Polarizability	100.62 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

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

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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/Eubacteria	Proteobacteria	2	Human ; Human feces
Bacteria	Proteobacteria	1	Human ; Human feces

Exposure Sources

Other Exposures

Source Type	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

4573794

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5460147

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for cob(II)inamide (MMDBc0055825)

MOL for #<Metabolite:0x00007fade0122fb0>

3D MOL for #<Metabolite:0x00007fade0122fb0>

3D SDF for #<Metabolite:0x00007fade0122fb0>

3D-SDF for #<Metabolite:0x00007fade0122fb0>

PDB for #<Metabolite:0x00007fade0122fb0>

3D PDB for #<Metabolite:0x00007fade0122fb0>

SMILES for #<Metabolite:0x00007fade0122fb0>

INCHI for #<Metabolite:0x00007fade0122fb0>

Structure for #<Metabolite:0x00007fade0122fb0>

3D Structure for #<Metabolite:0x00007fade0122fb0>