RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0150633
RefMet name	Succinic acid semialdehyde
Systematic name	4-oxo-butanoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 4:1;O	View other entries in RefMet with this sum composition
Exact mass	102.031695 (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	C4H6O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	3516 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
InChIKey	UIUJIQZEACWQSV-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CC(=O)O)C=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty aldehydes
Sub Class	Fatty aldehydes
Distribution of Succinic acid semialdehyde 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 Succinic acid semialdehyde
External Links
Pubchem CID	1112
LIPID MAPS	LMFA06000118
ChEBI ID	16265
KEGG ID	C00232
HMDB ID	HMDB0001259
Chemspider ID	1080
MetaCyc ID	SUCC-S-ALD
Spectral data for Succinic acid semialdehyde standards
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 Succinic acid semialdehyde

Rxn ID	KEGG Reaction	Enzyme
R00713	Succinate semialdehyde + NAD+ + H2O <=> Succinate + NADH + H+	succinate-semialdehyde:NAD+ oxidoreductase
R00714	Succinate semialdehyde + NADP+ + H2O <=> Succinate + NADPH + H+	succinate-semialdehyde:NADP+ oxidoreductase
R01648	4-Aminobutanoate + 2-Oxoglutarate <=> Succinate semialdehyde + L-Glutamate	4-aminobutanoate:2-oxoglutarate aminotransferase
R10178	4-Aminobutanoate + Pyruvate <=> Succinate semialdehyde + L-Alanine	4-aminobutanoate:pyruvate aminotransferase

Table of KEGG human pathways containing Succinic acid semialdehyde

Pathway ID	Human Pathway	# of reactions
hsa00250	Alanine, aspartate and glutamate metabolism	2
hsa00650	Butanoate metabolism	2
hsa01100	Metabolic pathways	2