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heme d1

Properties

Image

Occurences in reactions

MNX_ID

MNXM56018

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₃₄H₂₆FeN₄O₁₀

charge

-4

mass

706.10202

reference

chebi:60549

InChIKey

YTCKFKAUGWIMPJ-FSQDTXDGSA-H

InChI

InChI=1S/C34H32N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h6,8-12H,5,7,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-6/b8-6+;/t33-,34-;/m1./s1

SMILES

Cc1c(CCC(=O)[O-])c2n3c1C=C1C(=O)[C@](C)(CC(=O)[O-])C4=[N+]1[Fe-2]31n3c(c(C)c(/C=C/C(=O)[O-])c3=C2)=CC2=[N+]1C(=C4)C(=O)[C@]2(C)CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60549 chebi:60549	heme d1 [(2E)-3-[(7R,12R)-18-(2-carboxylatoethyl)-7,12-bis(carboxylatomethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl-kappa(4)N(21),N(22),N(23),N(24)]prop-2-enoato(6-)]iron ferroheme d1 tetraanion ferroheme d1 tetracarboxylate ferroheme d1(4-) haem d1(4-) {3-[18-(2-carboxylatoethyl)-7,12-bis(carboxylatomethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl--kappa(4)N(21),N(22),N(23),N(24)]acrylato(6-)}iron
kegg.compound:C22339 keggC:C22339	Heme d1
metacyc.compound:CPD-17059 metacycM:CPD-17059 seed.compound:cpd33242 seedM:cpd33242	ferroheme d1
CHEBI:61147 chebi:61147	ferroheme d1 [(2E)-3-[(7R,12R)-18-(2-carboxyethyl)-7,12-bis(carboxymethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl-kappa(4)N(21),N(22),N(23),N(24)]prop-2-enoato(2-)]iron dioneheme haem d1 heme d1 {3-[18-(2-carboxyethyl)-7,12-bis(carboxymethyl)-3,7,12,17-tetramethyl-8,13-dioxo-7,8,12,13-tetrahydroporphyrin-2-yl--kappa(4)N(21),N(22),N(23),N(24)]acrylato(2-)}iron
metacyc.compound:Heme-d1 metacycM:Heme-d1	heme d1
chebi:62800 keggC:M_C22339 seedM:M_cpd33242	secondary/obsolete/fantasy identifier