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Hematin

Properties

Image

Occurences in reactions

MNX_ID

MNXM56007

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

formula

C₃₄H₃₃FeN₄O₅

charge

mass

633.18003

reference

sabiorkM:28351

InChIKey

BMUDPLZKKRQECS-HXFTUNQESA-K

InChI

InChI=1S/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;

SMILES

C=Cc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[n-]2)c(C)c5C=C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.O.[Fe+3]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:28351 sabiorkM:28351	Hematin
seed.compound:cpd23054 seedM:cpd23054	ferriheme hydroxide ferriprotoporphyrin IX hydroxide hematin
CHEBI:36161 chebi:36161	hematin Fe(ppIX)(OH) Haematin [Fe(ppIX)(OH)] ferriheme hydroxide ferriporphyrin hydroxide ferriprotoporphyrin IX hydroxide ferriprotoporphyrin basic hydroxo(protoporphyrinato)iron(III) hydroxo[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron(III) hydroxyhemin phenodin protohematin
metacyc.compound:CPD-11677 metacycM:CPD-11677	hematin ferriheme hydroxide ferriprotoporphyrin IX hydroxide
seedM:M_cpd23054	secondary/obsolete/fantasy identifier