Chemical Component Summary

NameHEME D
FormulaC34 H32 Fe N4 O10
Molecular Weight712.484
TypeNON-POLYMER
Isomeric SMILESCc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=[N]7[Fe]3(N45)[N]8=C(C=C7[C@@](C6=O)(C)CC(=O)O)C(=O)[C@](C8=C2)(C)CC(=O)O)C)CCC(=O)O
InChIInChI=1S/C34H34N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h9-12H,5-8,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2/t33-,34-;/m1./s1
InChIKeyXLQCGNUTSJTZNF-YDXXJHAFSA-L

Chemical Details

Formal Charge0
Atom Count81
Chiral Atom Count3
Bond Count88
Aromatic Bond Count5

Drug Info: DrugBank

DrugBank IDDB03469 
NameHeme D
Groups experimental
SynonymsHeme D
Categories
  • Biological Factors
  • Heterocyclic Compounds, Fused-Ring
  • Metalloporphyrins
  • Pigments, Biological
  • Porphyrins

Drug Targets

NameTarget SequencePharmacological ActionActions
Nitrite reductaseMPFGKPLVGTLLASLTLLGLATAHAKDDMKAAEQYQGAASAVDPAHVVRT...unknown
Nitrite reductaseMRQRTPFARPGLLASAALALVLGPLAASAQEQVAPPKDPAAALEDHKTRT...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

Related Resource References

Resource NameReference
PubChem 5288056, 50921538