CHEBI:158259 - Ala-Ile-His

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ala-Ile-His
ChEBI ID CHEBI:158259
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H25N5O4
Net Charge 0
Average Mass 339.396
Monoisotopic Mass 339.19065
InChI InChI=1S/C15H25N5O4/c1-4-8(2)12(20-13(21)9(3)16)14(22)19-11(15(23)24)5-10-6-17-7-18-10/h6-9,11-12H,4-5,16H2,1-3H3,(H,17,18)(H,19,22)(H,20,21)(H,23,24)/t8-,9-,11-,12-/m0/s1
InChIKey NMXKFWOEASXOGB-QSFUFRPTSA-N
SMILES O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)[C@H](CC)C
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 Ala-Ile-His (CHEBI:158259) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Manual Xref Database
395267 ChemSpider
View more database links