CHEBI:159681 - Asn-Gln-Asp

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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-Asp
ChEBI ID CHEBI:159681
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H21N5O8
Net Charge 0
Average Mass 375.338
Monoisotopic Mass 375.13901
InChI InChI=1S/C13H21N5O8/c14-5(3-9(16)20)11(23)17-6(1-2-8(15)19)12(24)18-7(13(25)26)4-10(21)22/h5-7H,1-4,14H2,(H2,15,19)(H2,16,20)(H,17,23)(H,18,24)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1
InChIKey HJRBIWRXULGMOA-ACZMJKKPSA-N
SMILES O=C(N[C@@H](CC(O)=O)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-Asp (CHEBI:159681) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid