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Hematin

PropertiesImageOccurences in reactions
MNX_IDMNXM56007Image of MNXM56007
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC34H33FeN4O5
charge0
mass633.18003
referencesabiorkM:28351
InChIKeyBMUDPLZKKRQECS-HXFTUNQESA-K
InChIInChI=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-;;
SMILESC=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
IdentifierDescription
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