CHEBI:164556 - Trp-Cys-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-Cys-Arg
ChEBI ID CHEBI:164556
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H29N7O4S
Net Charge 0
Average Mass 463.560
Monoisotopic Mass 463.20017
InChI InChI=1S/C20H29N7O4S/c21-13(8-11-9-25-14-5-2-1-4-12(11)14)17(28)27-16(10-32)18(29)26-15(19(30)31)6-3-7-24-20(22)23/h1-2,4-5,9,13,15-16,25,32H,3,6-8,10,21H2,(H,26,29)(H,27,28)(H,30,31)(H4,22,23,24)/t13-,15-,16-/m0/s1
InChIKey MZDJYWGXAIEYEP-BPUTZDHNSA-N
SMILES SC[C@H](NC(=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CCCN=C(N)N)C(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-Cys-Arg (CHEBI:164556) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual Xref Database
16575034 ChemSpider
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