HEC

HEME C

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

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Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count0
Bond Count84
Aromatic Bond Count20
2D diagram of HEC
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Chemical Component Summary

NameHEME C
Systematic Name (OpenEye OEToolkits)n/a
FormulaC34 H34 Fe N4 O4
Molecular Weight618.503
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
SMILESCACTVS3.341CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
SMILESOpenEye OEToolkits1.5.0CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
Canonical SMILESCACTVS3.341 C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
Canonical SMILESOpenEye OEToolkits1.5.0 CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
InChIInChI1.03 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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKeyInChI1.03 HXQIYSLZKNYNMH-LJNAALQVSA-N

Drug Info: DrugBank

DrugBank IDDB03317 
NameFerroheme C
Groups experimental
Synonyms
  • Ferroheme C
  • Heme C
Categories
  • Biological Factors
  • Heterocyclic Compounds, Fused-Ring
  • Metalloporphyrins
  • Pigments, Biological
  • Porphyrins
CAS number26598-29-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Nitrite reductaseMPFGKPLVGTLLASLTLLGLATAHAKDDMKAAEQYQGAASAVDPAHVVRT...unknown
High-molecular-weight cytochrome cMRNGRTLLRWAGVLAATAIIGVGGFWSQGTTKALPEGPGEKRADLIEIGA...unknown
Cytochrome c''MKIKTIIAVFGVLFSAHALADVTNAEKLVYKYTNIAHSANPMYEAPSITD...unknown
Quinohemoprotein ethanol dehydrogenase type-1MERLIDNSHGWPGRMVWLLAACLGSAAAFAQTGPAAQAAAAVQRVDGDFI...unknown
Nitrite reductaseMRQRTPFARPGLLASAALALVLGPLAASAQEQVAPPKDPAAALEDHKTRT...unknown
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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