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Human Metabolome Database Version 3.5

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Showing metabocard for Ferrocytochrome (HMDB12947)

Record Information
Version 3.5
Creation Date 2009-07-24 18:10:23 -0600
Update Date 2013-02-08 11:40:29 -0700
HMDB ID HMDB12947
Secondary Accession Numbers None
Metabolite Identification
Common Name Ferrocytochrome
Description Ferricytochrome is a cytochrome containing reduced (ferrous) iron. Cytochrome c is an electron-carrying protein found in mitochondria of all aerobic organisms. It is part of the terminal oxidation chain, which completes the breakdown of foods to COZ and HzO, storing the liberated chemical energy in molecules of ATP. Like myoglobin, it is an iron porphyrin protein, made up of one heme group and one polypeptide chain. The iron atomalternates between the +2 and +3 oxidation state as the molecule interacts in turn with cytochrome reductase and cytochrome oxidase, each a large multimolecular complex (l-3). One of the goals of the present x-ray analysis is to understand how electron. transfer occurs into and out of cytochrome c, which will ultimately require a knowledge of the molecular structure in both the ferric and ferrous states.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. 553-12-8 (FREE ACID)
  2. Ferrocytochrome b-561
  3. H2ppIX
  4. HEM
  5. Kammerer'S porphyrin
  6. Kammerer'S prophyrin
  7. Lopac-P-8293
  8. NSC2632 (FREE ACID)
  9. Ooporphyrin
  10. Porphyrinogen ix
  11. PP-ix
  12. Protoporhyrin ix
  13. Protoporphyrin
  14. Protoporphyrin (PP)
  15. Protoporphyrin ix
  16. Protoporphyrin IX (6CI)
  17. Protoporphyrin IX (van)
  18. Protoporphyrin IX disodium
  19. Protoporphyrin-1x
  20. Protoporpyrin ix
Chemical Formula C33H32FeN4O4
Average Molecular Weight 604.477
Monoisotopic Molecular Weight 604.177297665
IUPAC Name 4,20-bis(2-carboxyethyl)-10-ethenyl-5,9,14,15,19-pentamethyl-2$l^{4},22,23$l^{4},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-1,1-diuide
Traditional IUPAC Name 4,20-bis(2-carboxyethyl)-10-ethenyl-5,9,14,15,19-pentamethyl-2$l^{4},22,23$l^{4},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-1,1-diuide
CAS Registry Number 1818-68-4
SMILES CC1=C(CCC(O)=O)C2=CC3=[N]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C)C8=[N]7[Fe--]4(N2C1=C8)N56)C(C)=C3CCC(O)=O
InChI Identifier InChI=1S/C33H34N4O4.Fe/c1-7-21-18(4)26-13-28-20(6)23(9-11-33(40)41)31(37-28)15-30-22(8-10-32(38)39)19(5)27(36-30)12-24-16(2)17(3)25(34-24)14-29(21)35-26;/h7,12-15H,1,8-11H2,2-6H3,(H4,34,35,36,37,38,39,40,41);/p-2/b24-12-,25-14?,26-13-,27-12-,28-13-,29-14?,30-15-,31-15-;
InChI Key KASOULBHUXQGJC-NHCNHRESSA-L
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Aromatic Heteropolycyclic Compounds
Class Tetrapyrroles and Derivatives
Sub Class Metallotetrapyrroles
Other Descriptors
  • Organic Compounds
  • Porphyrins
Substituents
  • Carboxylic Acid
  • Dicarboxylic Acid Derivative
  • Organic Transition Metal Moeity
  • Organometallic Compound
  • Pyrrole
  • Quaternary Ammonium Salt
Direct Parent Metalloporphyrins
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
Biofunction Not Available
Application Not Available
Cellular locations Not Available
Physical Properties
State Solid
Experimental Properties
Property Value Reference
Melting Point Not Available Not Available
Boiling Point Not Available Not Available
Water Solubility Not Available Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
LogP 1.19 ALOGPS
LogS -3.64 ALOGPS
Hydrogen Acceptor Count 0 ChemAxon
Hydrogen Donor Count 0 ChemAxon
Polar Surface Area 121.19 A2 ChemAxon
Rotatable Bond Count 7 ChemAxon
Refractivity 171.54 ChemAxon
Polarizability 68.6 ChemAxon
Formal Charge -2 ChemAxon
Physiological Charge -2 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations Not Available
Biofluid Locations Not Available
Tissue Location Not Available
Pathways Not Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB029223
KNApSAcK ID Not Available
Chemspider ID Not Available
KEGG Compound ID C05183 Link_out
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
NuGOwiki Link HMDB12947 Link_out
Metagene Link HMDB12947 Link_out
METLIN ID Not Available
PubChem Compound Not Available
PDB ID Not Available
ChEBI ID 15910 Link_out
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Not Available
General References Not Available
Enzymes
Name: NADH-cytochrome b5 reductase 3
Reactions:
  • NADH + 2 ferricytochrome b5 = NAD+ + H+ + 2 ferrocytochrome b5 [RN:R00100]
Gene Name: CYB5R3
Uniprot ID: P00387 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Squalene monooxygenase
Reactions:
  • squalene + AH2 + O2 = (S)-squalene-2,3-epoxide + A + H2O [RN:R02873]
Gene Name: SQLE
Uniprot ID: Q14534 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADPH--cytochrome P450 reductase
Reactions:
  • NADPH + H+ + n oxidized hemoprotein = NADP+ + n reduced hemoprotein
Gene Name: POR
Uniprot ID: P16435 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA