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CHEBI:58799 - (2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate

ChEBI IDCHEBI:58799
ChEBI Name(2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate
Stars
ASCII Name(2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate
DefinitionConjugate base of (2S)-2-[(R)-1-carboxyethylamino]pentanoic acid.
Last Modified21 July 2015
DownloadsMolfile
FormulaC8H14NO4
Net Charge-1
Average Mass188.203
Monoisotopic Mass188.09283
SMILESCCC[C@H]([NH2+][C@H](C)C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/p-1/t5-,6+/m1/s1
InChIKeyAMDDRMIFTJHJGD-RITPCOANSA-M
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate (CHEBI:58799) is a α-amino-acid anion (CHEBI:33558)
(2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate (CHEBI:58799) is conjugate base of (2S)-2-[(R)-1-carboxyethylamino]pentanoic acid (CHEBI:49259)
(2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate (CHEBI:58799) is tautomer of (2S)-2-[(R)-1-carboxyethylamino]pentanoate (CHEBI:15602)
Incoming Relation(s)
(2S)-2-[(R)-1-carboxyethylamino]pentanoic acid (CHEBI:49259) is conjugate acid of (2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate (CHEBI:58799)
(2S)-2-[(R)-1-carboxyethylamino]pentanoate (CHEBI:15602) is tautomer of (2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate (CHEBI:58799)
IUPAC Name 
(2S)-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate
Synonym  Source
(2S)-2-{[(1R)-1-carboxylatoethyl]ammonio}pentanoateChEBI
UniProt Name  Source
(2S)-2-[(R)-1-carboxyethylamino]pentanoateUniProt