Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 02:03:15 UTC
Update Date2022-08-31 18:30:42 UTC
Metabolite IDMMDBc0032121
Metabolite Identification
Common Name2-aminoprop-2-enoate
Description2-Aminoprop-2-enoate is an intermediate of several pathways in E. coli. In D-serine degradation pathway, it is a product for the enzyme D-serine ammmonia-lyase which catalyzes the reaction D-serine ‚Üí 2-aminoprop-2-enoate + H2O + H+. It is also products in pathways L-cysteine degradation II, L-methionine biosynthesis I, L-serine degradation and L-tryptophan degradation II (BioCyc compound: 2-AMINOACRYLATE).
Structure
Synonyms
ValueSource
(2S)-2-{[(2S)-2-{[(2R)-2-{[(2S)-2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxy-3-selanylpropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-4-methylpentanoateGenerator
DeoxycholylleucineHMDB
Leu-DeoxychoHMDB
Leu-DCAHMDB
Leucodeoxycholic acidHMDB
LeucodeoxycholateHMDB
Molecular FormulaC19H35N5O6Se
Average Mass508.489
Monoisotopic Mass509.175256
IUPAC Name[(2S)-2-(asparagylamino)-3-selanylpropanoyl]leucylleucine
Traditional Name[(2S)-2-(asparagylamino)-3-selanylpropanoyl]leucylleucine
CAS Registry NumberNot Available
SMILES
[H]N[C@@H](CC(N)=O)C(=O)N[C@@H](C[SeH])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
InChI Identifier
InChI=1S/C19H35N5O6Se/c1-9(2)5-12(17(27)23-13(19(29)30)6-10(3)4)22-18(28)14(8-31)24-16(26)11(20)7-15(21)25/h9-14,31H,5-8,20H2,1-4H3,(H2,21,25)(H,22,28)(H,23,27)(H,24,26)(H,29,30)/t11-,12-,13-,14-/m0/s1
InChI KeyVOSSYQZSALYRPE-XUXIUFHCSA-N