EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91950 - 7-[(2-amino-2-carboxyethyl)thio]-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-2-heptenoic acid

ChEBI IDCHEBI:91950
ChEBI Name7-[(2-amino-2-carboxyethyl)thio]-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-2-heptenoic acid
Stars
DownloadsMolfile
FormulaC16H26N2O5S
Net Charge0
Average Mass358.460
Monoisotopic Mass358.15624
SMILESCC1(C)CC1C(=O)NC(=CCCCCSCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyDHSUYTOATWAVLW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7-[(2-amino-2-carboxyethyl)thio]-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-2-heptenoic acid (CHEBI:91950) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
LSM-1894LINCS