Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0NHONHOOHOHNHNHOHOH
MW REGNO: 49353
Common Name:(E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin)
Systematic Name:(2E)-N-{2-[5-hydroxy-4-(5-hydroxy-3-{2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enamide
Synonyms: [PubChem Synonyms]
Exact Mass:
642.2478 (neutral)    Calculate m/z:
Formula:C38H34N4O6
InChIKey:OIUNULHHOJRJBI-IAGONARPSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Indoles and derivatives [C0000211]
ClassyFire subclass:Tryptamines and derivatives [C0000183]
ClassyFire direct parent:N-acylserotonins [C0004271]
SMILES:c1cc(ccc1/C=C/C(=O)NCCc1c[nH]c2ccc(c(c12)c1c(ccc2c1c(CCNC(=O)/C=C/c1ccc(cc1)O)c[nH]2)O)O)O
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:11764751
HMDB ID:HMDB0041431
Chemspider ID:9939442
Plant Metabolite Hub(Pmhub):MS000187181

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