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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | hemin | |
| Synonyms |
hemine chlorohemin chloro(protoporphyrinato)iron(III) ferriprotoporphyrin IX chloride chloro[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron(III) Hemine chloroprotoferrihem Haemin Panhematin hemin chloride protohemin hemin IX protohemin IX hemin chlorido(protoporphyrinato)iron(III) Hemin |
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| Definitions |
It is used as a prescription medication to relieve repeated attacks of acute intermittent porphyria related to the menstrual cycle in affected women. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_50385 |
|
| charge |
0
|
|
| database_cross_reference |
Beilstein:5717757 FooDB:FDB005746 PMID:30523204 KEGG:C06767 DrugBank:DB03404 Beilstein:1236156 PMID:33987332 HMDB:HMDB0000887 PMID:33603380 PMID:31102787 PMID:33624637 MetaCyc:CPD-11678 Wikipedia:Hemin Beilstein:4648025 Beilstein:953895 CAS:16009-13-5 PMID:33761605 Gmelin:2373175
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|
| definition |
It is used as a prescription medication to relieve repeated attacks of acute intermittent porphyria related to the menstrual cycle in affected women.
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|
| formula |
C34H32ClFeN4O4
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|
| has role | ||
| has_alternative_id |
CHEBI:5655 CHEBI:24493
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|
| has_exact_synonym |
hemin chlorido(protoporphyrinato)iron(III) Hemin
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
hemine chlorohemin chloro(protoporphyrinato)iron(III) ferriprotoporphyrin IX chloride chloro[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron(III) Hemine chloroprotoferrihem Haemin Panhematin hemin chloride protohemin hemin IX protohemin IX
|
|
| id |
CHEBI:50385
|
|
| in_subset | ||
| inchi |
InChI=1S/C34H34N4O4.ClH.Fe/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);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;
|
|
| inchikey |
BTIJJDXEELBZFS-HXFTUNQESA-K
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|
| label |
hemin
|
|
| mass |
651.94014
|
|
| monoisotopicmass |
651.14614
|
|
| notation |
CHEBI:50385
|
|
| prefLabel |
hemin
|
|
| 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(Cl)(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2
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| treeView | ||
| subClassOf |
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