heme   

GtoPdb Ligand ID: 4349

Synonyms: ferroheme | haem
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Fe+2]
Isomeric SMILES C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Fe+2]
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;+2/p-2
InChI Key KABFMIBPWCXCRK-UHFFFAOYSA-L
Classification
Compound class Metabolite or derivative
IUPAC Name
3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)
Synonyms
ferroheme | haem
Database Links
CAS Registry No. 14875-96-8
ChEBI CHEBI:30413
GtoPdb PubChem SID 178101166
PubChem CID 26945
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Search UniChem for chemicals with the same backbone KABFMIBPWCXCRK
SynPHARM 9464 (in complex with Rev-Erb-β)
Wikipedia Heme