Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37720
Common Name:	D-Lactic acid
Systematic Name:	(2R)-2-hydroxypropanoic acid
RefMet Name:	D-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-UWTATZPHSA-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]
MoNA 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:	61503
CHEBI ID:	341
HMDB ID:	HMDB0001311
KEGG ID:	C00256
Chemspider ID:	55423
METLIN ID:	6150
BMRB ID:	bmse000269
MetaCyc ID:	D-LACTATE
NP-MRD ID(NMR):	NP0001310
EPA CompTox DB:	DTXCID003192

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