Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120465
Identification
Name: cob(II)yrinate c-monoamide
Description:Not Available
Structure
Thumb
Synonyms:
  • cob(II)yrinic acid
  • c-monoamidecob(II)yrinate monoamide
Chemical Formula: C45H54N5O13CO
Average Molecular Weight: 931.877
Monoisotopic Molecular Weight: 937.352
InChI Key: RZFKRMUXXDOOID-OKJGWHJPSA-G
InChI:InChI=1S/C45H61N5O13.Co/c1-21-36-24(10-13-31(54)55)41(3,4)28(48-36)18-27-23(9-12-30(52)53)43(6,19-29(46)51)39(47-27)22(2)37-25(11-14-32(56)57)44(7,20-35(62)63)45(8,50-37)40-26(17-34(60)61)42(5,38(21)49-40)16-15-33(58)59;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H9,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+6/p-7/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC2(C1(C(CCC([O-])=O)C(C)(C)C6([N+]=1[Co++]58(N3([CH](C(C(CCC([O-])=O)(C)C=23)CC([O-])=O)C4(C)(C(C)(CC([O-])=O)C(CCC(=O)[O-])C(=[N+]45)C(=C7([N+](=C(C=6)C(C(C)(CC(N)=O)7)CCC([O-])=O)8))C))))))
Chemical Taxonomy
Taxonomy DescriptionThis compound 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 ClassOrganoheterocyclic compounds
Class Tetrapyrroles and derivatives
Sub ClassMetallotetrapyrroles
Direct Parent Metallotetrapyrroles
Alternative Parents
Substituents
  • Metallotetrapyrrole skeleton
  • Hexacarboxylic acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Pyrrolidine
  • Pyrroline
  • Carboxamide group
  • Carboxylic acid salt
  • Primary carboxylic acid amide
  • Organic metal salt
  • Organic transition metal salt
  • Azacycle
  • Carboxylic acid derivative
  • Carboxylic acid
  • Metalloheterocycle
  • Hydrocarbon derivative
  • Organic cobalt salt
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organic salt
  • Organic oxide
  • Organic anion
  • Aliphatic heteropolycyclic compound
Molecular Framework Aliphatic heteropolycyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties Not Available
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
  • cob(II)yrinate a,c-diamide biosynthesis I (early cobalt insertion)PWY-7377
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    BioCycCPD-15182