CHEBI:164518 - Trp-Asp-Arg

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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-Asp-Arg
ChEBI ID CHEBI:164518
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H29N7O6
Net Charge 0
Average Mass 475.506
Monoisotopic Mass 475.21793
InChI InChI=1S/C21H29N7O6/c22-13(8-11-10-26-14-5-2-1-4-12(11)14)18(31)28-16(9-17(29)30)19(32)27-15(20(33)34)6-3-7-25-21(23)24/h1-2,4-5,10,13,15-16,26H,3,6-9,22H2,(H,27,32)(H,28,31)(H,29,30)(H,33,34)(H4,23,24,25)/t13-,15-,16-/m0/s1
InChIKey GKUROEIXVURAAO-BPUTZDHNSA-N
SMILES O=C(N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)CC(O)=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2
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-Asp-Arg (CHEBI:164518) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual Xref Database
16575014 ChemSpider
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