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CHEBI:94778 - 7-[[(2R)-2-amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]-oxomethyl]amino]-2-heptenoic acid

ChEBI IDCHEBI:94778
ChEBI Name7-[[(2R)-2-amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]-oxomethyl]amino]-2-heptenoic acid
Stars
DownloadsMolfile
FormulaC16H26N2O5S
Net Charge0
Average Mass358.460
Monoisotopic Mass358.15624
SMILESCC1(C)C[C@@H]1C(=O)NC(=CCCCCSC[C@H](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)/t10-,11+/m1/s1
InChIKeyDHSUYTOATWAVLW-MNOVXSKESA-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-[[(2R)-2-amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]-oxomethyl]amino]-2-heptenoic acid (CHEBI:94778) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
LSM-5913LINCS