CHEBI:159747 - Asn-Glu-Thr

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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-Glu-Thr
ChEBI ID CHEBI:159747
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H22N4O8
Net Charge 0
Average Mass 362.339
Monoisotopic Mass 362.14376
InChI InChI=1S/C13H22N4O8/c1-5(18)10(13(24)25)17-12(23)7(2-3-9(20)21)16-11(22)6(14)4-8(15)19/h5-7,10,18H,2-4,14H2,1H3,(H2,15,19)(H,16,22)(H,17,23)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKey GFFRWIJAFFMQGM-NUMRIWBASA-N
SMILES O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)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 )
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ChEBI Ontology
Outgoing Asn-Glu-Thr (CHEBI:159747) is a peptide (CHEBI:16670)
IUPAC Name
(4S)-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoic acid