Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:04:57 UTC
Update Date2022-08-31 06:44:40 UTC
Metabolite IDMMDBc0018932
Metabolite Identification
Common NameLipoamide B
DescriptionLipoamide B belongs to the class of organic compounds known as asparagine and derivatives. Asparagine and derivatives are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Lipoamide B is a very strong basic compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC16H30N2O4
Average Mass314.426
Monoisotopic Mass314.220557454
IUPAC Name2-[(1-hydroxy-10-methylundecylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoic acid
Traditional Name2-[(1-hydroxy-10-methylundecylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoic acid
CAS Registry NumberNot Available
SMILES
CC(C)CCCCCCCCC(O)=NC(CC(O)=N)C(O)=O
InChI Identifier
InChI=1S/C16H30N2O4/c1-12(2)9-7-5-3-4-6-8-10-15(20)18-13(16(21)22)11-14(17)19/h12-13H,3-11H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)
InChI KeyHAIPUHCLABEHHT-UHFFFAOYSA-N