CHEBI:164428 - Trp-Ala-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-Ala-Trp
ChEBI ID CHEBI:164428
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H27N5O4
Net Charge 0
Average Mass 461.522
Monoisotopic Mass 461.20630
InChI InChI=1S/C25H27N5O4/c1-14(29-24(32)19(26)10-15-12-27-20-8-4-2-6-17(15)20)23(31)30-22(25(33)34)11-16-13-28-21-9-5-3-7-18(16)21/h2-9,12-14,19,22,27-28H,10-11,26H2,1H3,(H,29,32)(H,30,31)(H,33,34)/t14-,19-,22-/m0/s1
InChIKey HJWVPKJHHLZCNH-DVXDUOKCSA-N
SMILES O=C(N[C@H](C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)C)[C@@H](N)CC=3C=4C(NC3)=CC=CC4
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-Ala-Trp (CHEBI:164428) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid