Metabolomics Structure Database

MW REGNO: 51711
Common Name:Coproporphyrin I
Systematic Name:3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid
RefMet Name:Coproporphyrin I
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]
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:68271
CHEBI ID:28421
KEGG ID:C05769
Plant Metabolite Hub(Pmhub):MS000018857

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