CHEBI:160046 - Asn-Pro-Gln

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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 Asn-Pro-Gln
ChEBI ID CHEBI:160046
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H23N5O6
Net Charge 0
Average Mass 357.367
Monoisotopic Mass 357.16483
InChI InChI=1S/C14H23N5O6/c15-7(6-11(17)21)13(23)19-5-1-2-9(19)12(22)18-8(14(24)25)3-4-10(16)20/h7-9H,1-6,15H2,(H2,16,20)(H2,17,21)(H,18,22)(H,24,25)/t7-,8-,9-/m0/s1
InChIKey XMHFCUKJRCQXGI-CIUDSAMLSA-N
SMILES O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)CC(=O)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 Asn-Pro-Gln (CHEBI:160046) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-5-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid