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InChI: InChI=1/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-;;/fC34H32N4O4.Fe.HO/h39,41H;;1h/q-2;m;-1
InChIKey: InChIKey=BMUDPLZKKRQECS-NQGZDHOTDP
SMILES: CC1=C(CCC(O)=O)C2=CC3=[N]4C(=Cc5c(C)c(C=C)c6C=C7C(C)=C(C=C)C8=[N]7[Fe]4(O)(N2C1=C8)n56)C(C)=C3CCC(O)=O
CAS number 15489-90-4
Names:
ferriheme hydroxide
ferriporphyrin hydroxide
ferriprotoporphyrin basic
ferriprotoporphyrin IX hydroxide
Fe(ppIX)(OH)
hematin
hydroxo[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2−)]iron(III)
hydroxyhemin
Hämatin
phenodin
protohematin
[Fe(ppIX)(OH)]
name_it( "InChI=1/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-;;/fC34H32N4O4.Fe.HO/h39,41H;;1h/q-2;m;-1", "jqp008/27337.html" ); ?>
Registries:
pre_registry_key( "InChI=1/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-;;/fC34H32N4O4.Fe.HO/h39,41H;;1h/q-2;m;-1", "InChIKey=BMUDPLZKKRQECS-NQGZDHOTDP", "jqp008/27337.html" ); ?>
PubChem CID 27337
Beilstein =635422
Beilstein =953894
CAS 15489-90-4 (from NIST)
ChEBI 36161
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