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
Synonyms: [PubChem Synonyms]
Exact Mass:
654.2690 (neutral)    Calculate m/z:
Formula:C36H38N4O8
InChIKey:JWFCYWSMNRLXLX-UJJXFSCMSA-N
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
SMILES:CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:114935
CHEBI ID:27609
HMDB ID:HMDB0000570
KEGG ID:C05770
EPA CompTox DB:DTXCID40198253
Plant Metabolite Hub(Pmhub):MS000018858

References

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

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