CHEBI:159525 - Asn-Arg-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-Arg-Gln
ChEBI ID CHEBI:159525
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H28N8O6
Net Charge 0
Average Mass 416.439
Monoisotopic Mass 416.21318
InChI InChI=1S/C15H28N8O6/c16-7(6-11(18)25)12(26)22-8(2-1-5-21-15(19)20)13(27)23-9(14(28)29)3-4-10(17)24/h7-9H,1-6,16H2,(H2,17,24)(H2,18,25)(H,22,26)(H,23,27)(H,28,29)(H4,19,20,21)/t7-,8-,9-/m0/s1
InChIKey CIBWFJFMOBIFTE-CIUDSAMLSA-N
SMILES O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(=O)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 Asn-Arg-Gln (CHEBI:159525) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid