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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
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| Id | http://purl.obolibrary.org/obo/dinto_DB03014
http://purl.obolibrary.org/obo/dinto_DB03014
|
|---|---|
| Preferred Name | heme |
| Synonyms |
C34H32FeN4O4
(1R)-15,19-bis(2-carboxyethyl)-5,10-diethenyl-4,9,14,20-tetramethyl-2$l^{5},22,23$l^{5},25-tetraaza-1-ferraoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-2,23-bis(ylium)
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| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label | heme
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|---|---|
| prefLabel | heme
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| SMILES | CC1=C(CCC(O)=O)C2=CC3=[N+]4C(=CC5=C(C=C)C(C)=C6C=C7C(C=C)=C(C)C8=[N+]7[Fe@]4(N2C1=C8)N56)C(C)=C3CCC(O)=O
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| InChI | InChI=1S/C34H34N4O4.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);/q;+4/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
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| prefixIRI | obo2:dinto_DB03014
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| Synonym | C34H32FeN4O4
(1R)-15,19-bis(2-carboxyethyl)-5,10-diethenyl-4,9,14,20-tetramethyl-2$l^{5},22,23$l^{5},25-tetraaza-1-ferraoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-2,23-bis(ylium)
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| binds |
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| InChIKey | InChIKey=YHLKGEDAGPGZPN-RGGAHWMASA-L
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| subClassOf | |
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| type | |
| xref |
ChEBI:30413
PubChem Compound:4973
PubChem Substance:46505355
PDB:HEM
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