RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0042918
RefMet name	Cytochrome C
Systematic name	ferrous;3-[7,12-bis[1-[2-amino-3-(methylamino)-3-oxo-propyl]sulfanylethyl]-18-(2-carboxyethyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoic acid
Synonyms	PubChem Synonyms
Exact mass	884.280065 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C42H52FeN8O6S2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	155990 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	WFVBWSTZNVJEAY-VQGVYVAWSA-L	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC1=C(CCC(=O)O)C2=N/C/1=C\c1c(C)c(C(C)SCC(C(=O)NC)N)c(/C=C\3/C(=C(C(C)SCC(C(=O)NC)N)C(=N3)/C=c\3/c(C)c(CCC(=O)O)/c(=C/2)/[n-]3)C)[n-]1.[Fe+2] Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Porphyrins
Sub Class	Porphyrins
Distribution of Cytochrome C in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Cytochrome C
External Links
Pubchem CID	439171
KEGG ID	C00524
Chemspider ID	388316
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Cytochrome C

Rxn ID	KEGG Reaction	Enzyme
R02480	Cytochrome c <=> Apocytochrome c + Heme	Cytochrome c apocytochrome-c-lyase

Table of KEGG human pathways containing Cytochrome C

Pathway ID	Human Pathway	# of reactions
hsa00860	Porphyrin and chlorophyll metabolism	1