CHEBI:159708 - Asn-Gln-Trp

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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-Gln-Trp
ChEBI ID CHEBI:159708
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N6O6
Net Charge 0
Average Mass 446.464
Monoisotopic Mass 446.19138
InChI InChI=1S/C20H26N6O6/c21-12(8-17(23)28)18(29)25-14(5-6-16(22)27)19(30)26-15(20(31)32)7-10-9-24-13-4-2-1-3-11(10)13/h1-4,9,12,14-15,24H,5-8,21H2,(H2,22,27)(H2,23,28)(H,25,29)(H,26,30)(H,31,32)/t12-,14-,15-/m0/s1
InChIKey IHUJUZBUOFTIOB-QEJZJMRPSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CCC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Asn-Gln-Trp (CHEBI:159708) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid