cob(I)yrinate a,c-diamide

cob(I)yrinate <i>a,c</i>-diamide




Chemical Formula:
C45H56N6O12CO
Molecular Weight:
931.9 Daltons
Monoisotopic Mass:
936.3679466545 Daltons
SMILES:
CC6(=C7(C(C([CH]8(C2([N+]1([Co---]4([N+]3(C(=C(C)C=1C(CCC([O-])=O)C(CC(=O)N)(C)2)C(C(CCC(=O)[O-])C=3C=C5(C(C)(C)C(CCC(=O)[O-])C(=[N+]45)6))(CC(=O)N)C))N78))C))CC(=O)[O-])(C)CCC(=O)[O-]))
InChI:
1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+1/p-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
InChIKey:
NKLHEMWEQJCPPF-OKJGWHJPSA-H

Synonyms
  • cob(I)yrinic acid a,c-diamide
  • Cob(I)yrinate diamide

Databases
MetaCyc:  CPD-694
PubChem (CID):  45266689
HMDB:  HMDB06904
ChEBI:  58575
KEGG:  C06505