Metabolomics Structure Database

 
MW REGNO: 116465
Common Name:Cyclo(Arg-Pro)
Systematic Name:2-[3-[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]propyl]guanidine
RefMet Name:Cyclo(Arg-Pro)
Synonyms: [PubChem Synonyms]
Exact Mass:
253.1539 (neutral)    Calculate m/z:
Formula:C11H19N5O2
InChIKey:ZRJHYOXNWCMGMW-YUMQZZPRSA-N
ClassyFire superclass:Organic acids [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Amino acids [C0004176]
NP-MRD NMR spectra:View NMR spectra
SMILES:C(C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1)CNC(=N)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:449095
Natural Products Atlas ID:NPA002778
NP-MRD ID(NMR):NP0023081
Marine Natural Products DB:CMNPD16000

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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