CHEBI:158490 - Ile-Ile-Ala

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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 Ile-Ile-Ala
ChEBI ID CHEBI:158490
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H29N3O4
Net Charge 0
Average Mass 315.414
Monoisotopic Mass 315.21581
InChI InChI=1S/C15H29N3O4/c1-6-8(3)11(16)13(19)18-12(9(4)7-2)14(20)17-10(5)15(21)22/h8-12H,6-7,16H2,1-5H3,(H,17,20)(H,18,19)(H,21,22)/t8-,9-,10-,11-,12-/m0/s1
InChIKey WIZPFZKOFZXDQG-HTFCKZLJSA-N
SMILES O=C(N[C@@H]([C@H](CC)C)C(=O)N[C@@H](C)C(O)=O)[C@@H](N)[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 )
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ChEBI Ontology
Outgoing Ile-Ile-Ala (CHEBI:158490) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoic acid
Manual Xref Database
8216973 ChemSpider
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