CHEBI:164668 - Trp-Glu-Trp

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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-Glu-Trp
ChEBI ID CHEBI:164668
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H29N5O6
Net Charge 0
Average Mass 519.558
Monoisotopic Mass 519.21178
InChI InChI=1S/C27H29N5O6/c28-19(11-15-13-29-20-7-3-1-5-17(15)20)25(35)31-22(9-10-24(33)34)26(36)32-23(27(37)38)12-16-14-30-21-8-4-2-6-18(16)21/h1-8,13-14,19,22-23,29-30H,9-12,28H2,(H,31,35)(H,32,36)(H,33,34)(H,37,38)/t19-,22-,23-/m0/s1
InChIKey DPMVSFFKGNKJLQ-VJBMBRPKSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=3C=4C(NC3)=CC=CC4)CCC(O)=O
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-Glu-Trp (CHEBI:164668) is a oligopeptide (CHEBI:25676)
IUPAC Name
(4S)-4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
Manual Xref Database
57489383 ChemSpider
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