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CHEBI:158233 - Ala-His-Ser

ChEBI IDCHEBI:158233
ChEBI NameAla-His-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N5O5
Net Charge0
Average Mass313.314
Monoisotopic Mass313.13862
SMILESC[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H19N5O5/c1-6(13)10(19)16-8(2-7-3-14-5-15-7)11(20)17-9(4-18)12(21)22/h3,5-6,8-9,18H,2,4,13H2,1H3,(H,14,15)(H,16,19)(H,17,20)(H,21,22)/t6-,8-,9-/m0/s1
InChIKeyCBCCCLMNOBLBSC-XVYDVKMFSA-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-His-Ser (CHEBI:158233) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoic acid