HEB

HEME B/C

Created:	1999-07-08
Last modified:	2024-09-27

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38 entries where HEB is found as a standalone ligand5 entries where HEB is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	77
Chiral Atom Count	1
Bond Count	84
Aromatic Bond Count	5

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Chemical Component Summary
Name	HEME B/C
Formula	C₃₄ H₃₄ Fe N₄ O₄
Molecular Weight	618.503
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C
SMILES	OpenEye OEToolkits	2.0.7	CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C
Canonical SMILES	CACTVS	3.385	CCC1=C(C)C2=NC1=Cc3n4[Fe][N@@]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C
InChI	InChI	1.06	InChI=1S/C34H36N4O4.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;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey	InChI	1.06	NEGHHAJBRZGUAY-RGGAHWMASA-L

Drug Info: DrugBank

DrugBank ID	DB02182
Name	Hybrid Between B and C Type Hemes (Protoporphyrin Ixcontaining Fe)
Groups	experimental
Synonyms	Hybrid Between B and C Type Hemes (Protoporphyrin Ixcontaining Fe)

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Soluble cytochrome b562	MRKSLLAILAVSSLVFSSASFAADLEDNMETLNDNLKVIEKADNAAQVKD...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682