CHEBI:159967 - Asn-Met-Glu

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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-Met-Glu
ChEBI ID CHEBI:159967
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H24N4O7S
Net Charge 0
Average Mass 392.430
Monoisotopic Mass 392.13657
InChI InChI=1S/C14H24N4O7S/c1-26-5-4-8(17-12(22)7(15)6-10(16)19)13(23)18-9(14(24)25)2-3-11(20)21/h7-9H,2-6,15H2,1H3,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1
InChIKey HMUKKNAMNSXDBB-CIUDSAMLSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C
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-Met-Glu (CHEBI:159967) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]pentanedioic acid