RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0118290
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
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	51387 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	JWFCYWSMNRLXLX-UJJXFSCMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
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)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Porphyrins
Sub Class	Porphyrins
Distribution of Coproporphyrin III 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 Coproporphyrin III
External Links
Pubchem CID	114935
ChEBI ID	27609
KEGG ID	C05770
HMDB ID	HMDB0000570
EPA CompTox	DTXCID40198253
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 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