cob(II)yrinate c-monoamide

cob(II)yrinate <i>c</i>-monoamide




Chemical Formula:
C45H54N5O13CO
Molecular Weight:
931.877 Daltons
Monoisotopic Mass:
937.3519622393001 Daltons
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))))))
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;+2/p-7/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
InChIKey:
NJNUXMOGJWUPPV-OKJGWHJPSA-G

Synonyms
  • cob(II)yrinic acid c-monoamide
  • cob(II)yrinate monoamide

Databases
MetaCyc:  CPD-15182
ChEBI:  70793
PubChem (CID):  70679021
MetaNetX:  MNXM11139