CHEBI:166100 - Val-Asn-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 Val-Asn-Glu
ChEBI ID CHEBI:166100
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H24N4O7
Net Charge 0
Average Mass 360.367
Monoisotopic Mass 360.16450
InChI InChI=1S/C14H24N4O7/c1-6(2)11(16)13(23)18-8(5-9(15)19)12(22)17-7(14(24)25)3-4-10(20)21/h6-8,11H,3-5,16H2,1-2H3,(H2,15,19)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t7-,8-,11-/m0/s1
InChIKey ZMDCGGKHRKNWKD-LAEOZQHASA-N
SMILES O=C(N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@@H](N)C(C)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 )
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ChEBI Ontology
Outgoing Val-Asn-Glu (CHEBI:166100) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid