CHEBI:164955 - Tyr-Arg-Asp

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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 Tyr-Arg-Asp
ChEBI ID CHEBI:164955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H28N6O7
Net Charge 0
Average Mass 452.468
Monoisotopic Mass 452.20195
InChI InChI=1S/C19H28N6O7/c20-12(8-10-3-5-11(26)6-4-10)16(29)24-13(2-1-7-23-19(21)22)17(30)25-14(18(31)32)9-15(27)28/h3-6,12-14,26H,1-2,7-9,20H2,(H,24,29)(H,25,30)(H,27,28)(H,31,32)(H4,21,22,23)/t12-,13-,14-/m0/s1
InChIKey MICSYKFECRFCTJ-IHRRRGAJSA-N
SMILES O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN=C(N)N
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 Tyr-Arg-Asp (CHEBI:164955) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid