cob(II)yrinate a,c-diamide

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




Chemical Formula:
C45H56N6O12CO
Molecular Weight:
931.9 Daltons
Monoisotopic Mass:
936.3679466545 Daltons
SMILES:
CC1(C8(C(CCC([O-])=O)C(C)(C)C6([N+]([Co--]35([N+]4(=C(C(C(C([CH]2(C(C(CCC([O-])=O)(C)C=1N23)CC([O-])=O))(C)4)(C)CC(N)=O)CCC(=O)[O-])C(=C7([N+]5=C(C=6)C(C(C)(CC(N)=O)7)CCC([O-])=O))C)))=8)))
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;+2/p-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
InChIKey:
IADMSJRJSGLGJI-OKJGWHJPSA-H

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

Databases
MetaCyc:  CPD-689
PubChem (CID):  44229219
ChEBI:  27937
KEGG:  C06504
MetaNetX:  MNXM91520