CHEBI:157852 - His-Phe-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 His-Phe-Asp
ChEBI ID CHEBI:157852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H23N5O6
Net Charge 0
Average Mass 417.422
Monoisotopic Mass 417.16483
InChI InChI=1S/C19H23N5O6/c20-13(7-12-9-21-10-22-12)17(27)23-14(6-11-4-2-1-3-5-11)18(28)24-15(19(29)30)8-16(25)26/h1-5,9-10,13-15H,6-8,20H2,(H,21,22)(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t13-,14-,15-/m0/s1
InChIKey RLAOTFTXBFQJDV-KKUMJFAQSA-N
SMILES O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC2=CC=CC=C2
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 His-Phe-Asp (CHEBI:157852) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid
Manual Xref Database
9728262 ChemSpider
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