adenosyl-cob(III)yrinate a,c-diamide

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




Chemical Formula:
C55H68N11O15CO
Molecular Weight:
1182.137 Daltons
Monoisotopic Mass:
1186.4619609320002 Daltons
SMILES:
CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))
InChI:
1S/C45H62N6O12.C10H12N5O3.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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/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);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1
InChIKey:
OCNLJCZKGHKJGF-NQYRMHKHSA-H

Synonyms
  • adenosyl-cobyrinic acid a,c-diamide
  • adenosyl cobyrinate diamide
  • adenosylcob(III)yrinic acid a,c-diamide
  • aAdenosylcobyrinic acid a,c-diamide
  • adenosyl-cobyrinate a,c-diamide

Databases
MetaCyc:  CPD-690
PubChem (CID):  91819815
HMDB:  HMDB01083
ChEBI:  58503
KEGG:  C06506
MetaNetX:  MNXM92086