Metabolomics Structure Database
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MW REGNO: | 42459 |
Common Name: | Pyrroloquinoline quinone |
Systematic Name: | 4,5-dioxo-1H,4H,5H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid |
RefMet Name: | Pyrroloquinoline quinone |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C14H6N2O8 |
InChIKey: | MMXZSJMASHPLLR-UHFFFAOYSA-N |
ClassyFire superclass: | Organoheterocyclic compounds [C0000002] |
ClassyFire class: | Quinolines and derivatives [C0001253] |
ClassyFire subclass: | Pyrroloquinolines [C0001734] |
ClassyFire direct parent: | Pyrroloquinoline quinones [C0000005] |
SMILES: | OC(=O)c1cc([n]c2c1-c1[nH]c(cc1C(=O)C2=O)C(O)=O)C(O)=O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 1024 |
CHEBI ID: | 18315 |
HMDB ID: | HMDB0013636 |
KEGG ID: | C00113 |
Chemspider ID: | 997 |
MetaCyc ID: | PQQ |
Plant Metabolite Hub(Pmhub): | MS000016801 |
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