Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1875
Common Name:	2,3-diamino-propionic acid
Systematic Name:	2S,3-diamino-propionic acid
RefMet Name:	2,3-Diaminopropionic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	104.0586 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C3H8N2O2
InChIKey:	PECYZEOJVXMISF-REOHCLBHSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Amino fatty acids [FA0110]
MoNA MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C([C@@H](C(=O)O)N)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	97328
LIPID MAPS ID:	LMFA01100051
CHEBI ID:	16303
HMDB ID:	HMDB0002006
KEGG ID:	C06393
Chemspider ID:	87849
METLIN ID:	6429
MetaCyc ID:	L-23-DIAMINOPROPANOATE
NP-MRD ID(NMR):	NP0000519
Plant Metabolite Hub(Pmhub):	MS000000138

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