EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158058 - Ala-Cys-Asn

ChEBI IDCHEBI:158058
ChEBI NameAla-Cys-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18N4O5S
Net Charge0
Average Mass306.344
Monoisotopic Mass306.09979
SMILESC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H18N4O5S/c1-4(11)8(16)14-6(3-20)9(17)13-5(10(18)19)2-7(12)15/h4-6,20H,2-3,11H2,1H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t4-,5-,6-/m0/s1
InChIKeyHFBFSOAKPUZCCO-ZLUOBGJFSA-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)
Ala-Cys-Asn (CHEBI:158058) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulanylpropanoyl]amino]-4-oxobutanoic acid