RefMet Compound Details

MW structure	51387 (View MW Metabolite Database details)
RefMet name	Coproporphyrin III
Systematic name	3-[8,12,18-tris(2-carboxyethyl)-3,7,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid
SMILES	Cc1c(CCC(=O)O)c2/C=C\3/C(=C(CCC(=O)O)C(=N3)/C=c\3/c(C)c(CCC(=O)O)/c(=C/C4=N/C(=C\c1[nH]2)/C(=C4CCC(=O)O)C)/[nH ]3)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	654.268964 (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	C36H38N4O8	View other entries in RefMet with this formula
InChI
InChIKey	JWFCYWSMNRLXLX-UJJXFSCMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organoheterocyclic compounds
Main Class	Porphyrins
Sub Class	Porphyrins
Pubchem CID	114935
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Coproporphyrin III

Rxn ID	KEGG Reaction	Enzyme
R04178	Coproporphyrinogen III + 3 Oxygen <=> Coproporphyrin III + 3 Hydrogen peroxide	coproporphyrinogen-III:oxygen oxidoreductase (coproporphyrin-forming)
R11329	Fe-coproporphyrin III + 2 H+ <=> Coproporphyrin III + Fe2+	Fe-coproporphyrin-III ferro-lyase (coproporphyrin-III-forming)

Table of KEGG human pathways containing Coproporphyrin III

Pathway ID	Human Pathway	# of reactions
hsa00860	Porphyrin and chlorophyll metabolism	2