CHEBI:158681 - Arg-Ala-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 Arg-Ala-Ala
ChEBI ID CHEBI:158681
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H24N6O4
Net Charge 0
Average Mass 316.362
Monoisotopic Mass 316.18590
InChI InChI=1S/C12H24N6O4/c1-6(9(19)18-7(2)11(21)22)17-10(20)8(13)4-3-5-16-12(14)15/h6-8H,3-5,13H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)(H4,14,15,16)/t6-,7-,8-/m0/s1
InChIKey OOBVTWHLKYJFJH-FXQIFTODSA-N
SMILES O=C(N[C@H](C(=O)N[C@@H](C)C(O)=O)C)[C@@H](N)CCCN=C(N)N
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 Arg-Ala-Ala (CHEBI:158681) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]propanoic acid