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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | hematin | |
| Synonyms |
hydroxo[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron(III) ferriheme hydroxide phenodin [Fe(ppIX)(OH)] protohematin ferriprotoporphyrin IX hydroxide hydroxyhemin Fe(ppIX)(OH) Haematin ferriprotoporphyrin basic ferriporphyrin hydroxide hematin hydroxo(protoporphyrinato)iron(III) |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_36161 |
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| charge |
0
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|
| database_cross_reference |
CAS:15489-90-4 Beilstein:953894 Beilstein:635422
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| formula |
C34H33FeN4O5
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| has_exact_synonym |
hematin hydroxo(protoporphyrinato)iron(III)
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
hydroxo[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron(III) ferriheme hydroxide phenodin [Fe(ppIX)(OH)] protohematin ferriprotoporphyrin IX hydroxide hydroxyhemin Fe(ppIX)(OH) Haematin ferriprotoporphyrin basic ferriporphyrin hydroxide
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| id |
CHEBI:36161
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| in_subset | ||
| 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-;;
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| inchikey |
BMUDPLZKKRQECS-HXFTUNQESA-K
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|
| label |
hematin
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|
| mass |
633.49478
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|
| monoisotopicmass |
633.18003
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|
| notation |
CHEBI:36161
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|
| prefLabel |
hematin
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|
| smiles |
CC1=C(CCC(O)=O)C2=[N]3C1=Cc1c(C)c(C=C)c4C=C5C(C)=C(C=C)C6=[N]5[Fe]3(O)(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2
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| treeView | ||
| subClassOf |
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