CHEBI:164859 - Trp-Thr-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 Trp-Thr-Glu
ChEBI ID CHEBI:164859
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N4O7
Net Charge 0
Average Mass 434.449
Monoisotopic Mass 434.18015
InChI InChI=1S/C20H26N4O7/c1-10(25)17(19(29)23-15(20(30)31)6-7-16(26)27)24-18(28)13(21)8-11-9-22-14-5-3-2-4-12(11)14/h2-5,9-10,13,15,17,22,25H,6-8,21H2,1H3,(H,23,29)(H,24,28)(H,26,27)(H,30,31)/t10-,13+,15+,17+/m1/s1
InChIKey DTPWXZXGFAHEKL-NWLDYVSISA-N
SMILES O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2)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 )
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ChEBI Ontology
Outgoing Trp-Thr-Glu (CHEBI:164859) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid