Metabolomics Structure Database

MW REGNO: 51387
Common Name:Coproporphyrin III
Systematic Name:3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid
RefMet Name:Coproporphyrin III
Synonyms: [PubChem Synonyms]
Exact Mass:
654.2690 (neutral)    Calculate m/z:
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Tetrapyrroles and derivatives [C0001455]
ClassyFire subclass:Porphyrins [C0000212]
ClassyFire direct parent:Porphyrins [C0000212]
MoNA MS spectra:View MS spectra
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:114935
CHEBI ID:27609
KEGG ID:C05770
EPA CompTox DB:DTXCID40198253
Plant Metabolite Hub(Pmhub):MS000018858

Calculated physicochemical properties (?):

Heavy Atoms: 48  
Rings: 5  
Aromatic Rings: 1  
Rotatable Bonds: 12  
van der Waals Molecular volume: 633.38 Å3 molecule-1  
Toplogical Polar Sufrace Area: 201.74 Å2 molecule-1  
Hydrogen Bond Donors: 6  
Hydrogen Bond Acceptors: 10  
logP: 5.70  
Molar Refractivity: 180.25  
Fraction sp3 Carbons: 0.33  
sp3 Carbons: 12  

Human Pathway links:

HMDB and KEGG pathways containing this metabolite


LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y