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Co-precorrin-3

MNXM92204 is deprecated and here replaced by MNXM741455
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM741455

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	3

formula

C₄₃H₄₀CoN₄O₁₆

charge

-8

mass

927.18151

reference

chebi:60060

InChIKey

FKTVLCPLZMVWHD-LPFAUARPSA-E

InChI

InChI=1S/C43H49N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H9,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q-1;+2/p-9/b41-19-;/t22?,24-,25-,42+,43+;/m1./s1

SMILES

CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(=C(CCC(=O)[O-])C6CC(=O)[O-])Cc6c(CCC(=O)[O-])c(CC(=O)[O-])c1n6[Co-2]573)[C@@H](CCC(=O)[O-])[C@]4(C)CC(=O)[O-])[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:60060 chebi:60060	Co-precorrin-3 cobalt-precorrin-3(8-) {3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(10-)}cobaltate(6-)
seed.compound:cpd08369 seedM:cpd08369	Cobalt-precorrin 3 cobalt-precorrin 3 cobalt-precorrin-3 copre3
metacyc.compound:CPD-9040 metacycM:CPD-9040	cobalt-precorrin-3
CHEBI:3791 chebi:3791	cobalt-precorrin-3 Cobalt-precorrin 3 {3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt
seedM:M_cpd08369	secondary/obsolete/fantasy identifier