Feedback

cob(I)yrinate a,c diamide

MNXM92189 is deprecated and here replaced by MNXM741369
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM741369

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	2

formula

C₄₅H₅₆CoN₆O₁₂

charge

-5

mass

931.33156

reference

chebi:58575

InChIKey

NKLHEMWEQJCPPF-OKJGWHJPSA-H

InChI

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;+1/p-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1

SMILES

CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@H]([C@H](CC(=O)[O-])[C@@]6(C)CCC(=O)[O-])[C@]6(C)[N+](=C1[C@@H](CCC(=O)[O-])[C@]6(C)CC(N)=O)[Co-3]753)[C@@H](CCC(=O)[O-])C4(C)C)[C@@H](CCC(=O)[O-])[C@]2(C)CC(N)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58575 chebi:58575	cob(I)yrinate a,c diamide cob(I)yrinate a,c diamide(5-)
hmdb:HMDB0006904	Cob(I)yrinate a,c diamide Cob(I)yrinate a,c-diamide Cob(I)yrinate diamide Cob(I)yrinic acid a,c diamide Cob(I)yrinic acid a,c-diamide Cob(I)yrinic acid diamide [(1R,3R,4R,8S,13S,14S,18S,19S)-14,19-bis(carbamoylmethyl)-4,8,13,18-tetrakis(2-carboxyethyl)-3-(carboxymethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobalt
kegg.compound:C06505 keggC:C06505	Cob(I)yrinate a,c diamide Cob(I)yrinate diamide Cob(I)yrinic acid a,c-diamide
seed.compound:cpd03915 seedM:cpd03915	Cob(I)yrinate diamide Cob(I)yrinate a,c diamide Cob(I)yrinic acid a,c-diamide co1dam cob(I)yrinate a,c-diamide cob(I)yrinic acid a,c-diamide
metacyc.compound:CPD-694 metacycM:CPD-694	cob(I)yrinate a,c-diamide Cob(I)yrinate diamide cob(I)yrinic acid a,c-diamide
CHEBI:28531 chebi:28531	cob(I)yrinic acid a,c diamide Cob(I)yrinate a,c diamide Cob(I)yrinate diamide Cob(I)yrinic acid a,c-diamide
hmdb:HMDB0006965 hmdb:HMDB06904 hmdb:HMDB06965 chebi:23329 chebi:3785 chebi:85469 keggC:M_C06505 seedM:M_cpd03915	secondary/obsolete/fantasy identifier