Metabolomics Structure Database

 
MW REGNO: 38453
Common Name:Melanin
Systematic Name:6,14-dimethyl-4,12-diazapentacyclo[8.6.1.1^{2,5}.0^{13,17}.0^{9,18}]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone
RefMet Name:Melanin
Synonyms: [PubChem Synonyms]
Exact Mass:
318.0641 (neutral)    Calculate m/z:
Formula:C18H10N2O4
InChIKey:XUMBMVFBXHLACL-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Aromatic polyketides
LIPID MAPS subclass:Anthracenes and phenanthrenes
SMILES:Cc1c2c3c(c[nH]2)c2c4c(c[nH]c4c(C)c(=O)c2=O)c3c(=O)c1=O
Studies:Available studies (via RefMet name)

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Human Pathway links:

HMDB and KEGG pathways containing this metabolite

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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