CHEBI:160991 - Asp-Tyr-Asn

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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 Asp-Tyr-Asn
ChEBI ID CHEBI:160991
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H22N4O8
Net Charge 0
Average Mass 410.383
Monoisotopic Mass 410.14376
InChI InChI=1S/C17H22N4O8/c18-10(6-14(24)25)15(26)20-11(5-8-1-3-9(22)4-2-8)16(27)21-12(17(28)29)7-13(19)23/h1-4,10-12,22H,5-7,18H2,(H2,19,23)(H,20,26)(H,21,27)(H,24,25)(H,28,29)/t10-,11-,12-/m0/s1
InChIKey NJLLRXWFPQQPHV-SRVKXCTJSA-N
SMILES O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC1=CC=C(O)C=C1
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 Asp-Tyr-Asn (CHEBI:160991) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid