RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135904
RefMet name	Lactic acid
Systematic name	(2S)-2-hydroxypropanoic acid
Synonyms	PubChem Synonyms
Exact mass	90.031695 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C3H6O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37125 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
InChIKey	JVTAAEKCZFNVCJ-REOHCLBHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@@H](C(=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Short-chain acids
Sub Class	Short-chain acids
Distribution of Lactic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Lactic acid
External Links
Pubchem CID	107689
ChEBI ID	422
KEGG ID	C00186
HMDB ID	HMDB0000190
Chemspider ID	96860
MetaCyc ID	L-LACTATE
EPA CompTox	DTXCID003192
Spectral data for Lactic acid standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Lactic acid

Rxn ID	KEGG Reaction	Enzyme
R00196	(S)-Lactate + 2 Ferricytochrome c <=> Pyruvate + 2 Ferrocytochrome c + 2 H+	(S)-Lactate:ferricytochrome-c 2-oxidoreductase
R00703	(S)-Lactate + NAD+ <=> Pyruvate + NADH + H+	(S)-Lactate:NAD+ oxidoreductase
R01447	(S)-Lactate + Oxaloacetate <=> (S)-Malate + Pyruvate	(S)-Lactate:oxaloacetate oxidoreductase
R13050	(S)-Lactate + 2 NAD+ + 2 Reduced ferredoxin <=> Pyruvate + 2 NADH + 2 Oxidized ferredoxin	(S)-lactate:NAD+,ferredoxin oxidoreductase

Table of KEGG human pathways containing Lactic acid

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	3
hsa00010	Glycolysis / Gluconeogenesis	1
hsa00620	Pyruvate metabolism	1