Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37125
Common Name:	L-Lactic acid
Systematic Name:	(2S)-2-hydroxypropanoic acid
RefMet Name:	Lactic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	90.0317 (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:	C3H6O3
InChIKey:	JVTAAEKCZFNVCJ-REOHCLBHSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Hydroxy acids and derivatives [C0000472]
ClassyFire subclass:	Alpha hydroxy acids and derivatives [C0001359]
ClassyFire direct parent:	Alpha hydroxy acids and derivatives [C0001359]
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C[C@@H](C(=O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	107689
CHEBI ID:	422
HMDB ID:	HMDB0000190
KEGG ID:	C00186
Chemspider ID:	96860
METLIN ID:	5205
BMRB ID:	bmse000979
MetaCyc ID:	L-LACTATE
NP-MRD ID(NMR):	NP0000480
Plant Metabolite Hub(Pmhub):	MS000001948

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