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cob(II)yrinate

Properties

Image

Occurences in reactions

MNX_ID

MNXM741356

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	4

formula

C₄₅H₅₂CoN₄O₁₄

charge

-6

mass

931.28449

reference

chebi:58894

InChIKey

ZRAQEEAQQLYOBK-OKJGWHJPSA-F

InChI

InChI=1S/C45H60N4O14.Co/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-8/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1

SMILES

C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\N([Co+])[C@H]([C@H](CC(=O)[O-])[C@@]4(C)CCC(=O)[O-])[C@]4(C)N=C1[C@@H](CCC(=O)[O-])[C@]4(C)CC(=O)[O-])[C@@H](CCC(=O)[O-])C3(C)C)[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58894 chebi:58894	cob(II)yrinate 3,3',3'',3'''-{[(1R,2S,3S,7S,8S,17R,18R,19R)-2,7,18-tris(carboxylatomethyl)-1,2,5,7,12,12,15,17-octamethylcorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato}cobalt(II) cob(II)yrinate hexaanion cob(II)yrinate(6-)
kegg.compound:C05773 keggC:C05773	Cobyrinate Cob(II)yrinate Cob(II)yrinic acid Cobyrinic acid
seed.compound:cpd03421 seedM:cpd03421	Cobyrinate Cob(II)yrinate Cob(II)yrinic acid Cobyrinic acid cobya cobyrinate cobyrinic acid
CHEBI:52499 chebi:52499	cob(II)yrinic acid 3,3',3'',3'''-{[(1R,2S,3S,7S,8S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethylcorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt(II)
metacyc.compound:CPD-9049 metacycM:CPD-9049	cobyrinate cobyrinic acid
keggC:M_C05773 seedM:M_cpd03421	secondary/obsolete/fantasy identifier