EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:28496 - N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine

ChEBI IDCHEBI:28496
ChEBI NameN-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine
Stars
ASCII NameN-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine
DefinitionA tripeptoid arising from cleavage of both rings of a penicillin derivative.
Secondary ChEBI IDsCHEBI:10536, CHEBI:12538, CHEBI:12540, CHEBI:23603, CHEBI:40570
Last Modified18 December 2014
DownloadsMolfile
FormulaC14H25N3O6S
Net Charge0
Average Mass363.436
Monoisotopic Mass363.14641
SMILESCC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1
InChIKeyBYEIJZFKOAXBBV-ATZCPNFKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine (CHEBI:28496) is a dipeptide (CHEBI:46761)
N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine (CHEBI:28496) is conjugate acid of N-[(5S)-5-ammonio-5-carboxylatopentanoyl]-L-cysteinyl-D-valinate (CHEBI:58572)
Incoming Relation(s)
N-[(5S)-5-ammonio-5-carboxylatopentanoyl]-L-cysteinyl-D-valinate (CHEBI:58572) is conjugate base of N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine (CHEBI:28496)
IUPAC Name 
N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine
Synonyms  Source
5-(2-Aminoad)-cys-valChemIDplus
AADCVChemIDplus
ACVKEGG COMPOUND
(alpha-Aminoadipyl)-cys-valChemIDplus
delta(L-2-aminoadipyl)-L-cysteinyl-D-valineChEBI
delta(L-2-Aminoadipyl)-L-cysteinyl-D-valineKEGG COMPOUND
Manual XrefsDatabases
ACVPDBeChem
C05556KEGG COMPOUND
C05556KEGG COMPOUND
DB02025DrugBank
Registry NumbersSources
CAS:21566-74-5ChemIDplus