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

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ChEBI Name N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine
ChEBI ID CHEBI:28496
ChEBI ASCII Name N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine
Definition A tripeptoid arising from cleavage of both rings of a penicillin derivative.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40570, CHEBI:23603, CHEBI:12538, CHEBI:12540, CHEBI:10536
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Formula C14H25N3O6S
Net Charge 0
Average Mass 363.43000
Monoisotopic Mass 363.14641
InChI InChI=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
InChIKey BYEIJZFKOAXBBV-ATZCPNFKSA-N
SMILES CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(alpha-Aminoadipyl)-cys-val ChemIDplus
5-(2-Aminoad)-cys-val ChemIDplus
AADCV ChemIDplus
ACV KEGG COMPOUND
delta(L-2-Aminoadipyl)-L-cysteinyl-D-valine KEGG COMPOUND
delta(L-2-aminoadipyl)-L-cysteinyl-D-valine ChEBI
L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE ChEBI
L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine KEGG COMPOUND
N-[L-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valine KEGG COMPOUND
Manual Xrefs Databases
ACV PDBeChem
C05556 KEGG COMPOUND
DB02025 DrugBank
View more database links
Registry Number Type Source
21566-74-5 CAS Registry Number ChemIDplus
Last Modified
18 December 2014