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cob(III)yrinic acid

MNXM736796 is deprecated and replaced by MNXM736795

Properties

Image

Occurences in reactions

MNX_ID

MNXM736795

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

formula

C₄₅H₅₉CoN₄O₁₄

charge

mass

938.33488

reference

chebi:33907

InChIKey

SXATWJGWOIKDIW-OKJGWHJPSA-M

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;+3/p-1/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+2])[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:33907 chebi:33907	cob(III)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(III) Cob(II)yrinate Cob(II)yrinic acid Cobyrinate Cobyrinic acid Cobyrinsaeure cobyrinic acid
sabiork.compound:8132 sabiorkM:8132	Cobyrinate Cobyrinic acid
chebi:23344 chebi:3800	secondary/obsolete/fantasy identifier