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Fe-coproporphyrin III

Properties

Image

Occurences in reactions

MNX_ID

MNXM53152

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	5

formula

C₃₆H₃₂FeN₄O₈

charge

-4

mass

704.15915

reference

chebi:68438

InChIKey

SXDINBXHOHHTMY-RGGAHWMASA-H

InChI

InChI=1S/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-6/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

SMILES

CC1=C(CCC(=O)[O-])C2=[N+]3C1=Cc1c(CCC(=O)[O-])c(C)c4n1[Fe-2]31n3c(c(C)c(CCC(=O)[O-])c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)[O-])=C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68438 chebi:68438	Fe-coproporphyrin III Fe-coproporphyrin III(4-) [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl--tetrayl-kappa(4)N(21),N(22),N(23),N(24))tetrapropanoato(6-)]ferrate(4-)
kegg.compound:C21284 keggC:C21284	Fe-coproporphyrin III Coproheme III
CHEBI:60454 chebi:60454	Fe-coproporphyrin III [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24))tetrapropanoato(2-)]iron iron-coproporphyrin III
metacyc.compound:CPD-17070 metacycM:CPD-17070 seed.compound:cpd32319 seedM:cpd32319	Fe-coproporphyrin III coproheme III
keggC:M_C21284 seedM:M_cpd32319	secondary/obsolete/fantasy identifier