CHEBI:160989 - Asp-Tyr-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 Asp-Tyr-Arg
ChEBI ID CHEBI:160989
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28N6O7
Net Charge 0
Average Mass 452.468
Monoisotopic Mass 452.20195
InChI InChI=1S/C19H28N6O7/c20-12(9-15(27)28)16(29)25-14(8-10-3-5-11(26)6-4-10)17(30)24-13(18(31)32)2-1-7-23-19(21)22/h3-6,12-14,26H,1-2,7-9,20H2,(H,24,30)(H,25,29)(H,27,28)(H,31,32)(H4,21,22,23)/t12-,13-,14-/m0/s1
InChIKey HCOQNGIHSXICCB-IHRRRGAJSA-N
SMILES O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC1=CC=C(O)C=C1
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 Asp-Tyr-Arg (CHEBI:160989) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual Xref Database
16569920 ChemSpider
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