Metabolomics Structure Database

 
MW REGNO: 38049
Common Name:Coproporphyrinogen I
Systematic Name:3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
660.3159 (neutral)    Calculate m/z:
Formula:C36H44N4O8
InChIKey:WIUGGJKHYQIGNH-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Tetrapyrroles and derivatives [C0001455]
ClassyFire subclass:Porphyrins [C0000212]
ClassyFire direct parent:Porphyrins [C0000212]
SMILES:Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)C2
Studies:-

Select appropriate tab below to view additional details:

External database links:

PubChem CID:440776
CHEBI ID:28607
HMDB ID:HMDB0002158
KEGG ID:C05768
Chemspider ID:389645
METLIN ID:6516
MetaCyc ID:COPROPORPHYRINOGEN_I
EPA CompTox DB:DTXCID10282618
Plant Metabolite Hub(Pmhub):MS000018856

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

  logo