CHEBI:161011 - Asp-Tyr-Met

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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-Met
ChEBI ID CHEBI:161011
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H25N3O7S
Net Charge 0
Average Mass 427.470
Monoisotopic Mass 427.14132
InChI InChI=1S/C18H25N3O7S/c1-29-7-6-13(18(27)28)20-17(26)14(8-10-2-4-11(22)5-3-10)21-16(25)12(19)9-15(23)24/h2-5,12-14,22H,6-9,19H2,1H3,(H,20,26)(H,21,25)(H,23,24)(H,27,28)/t12-,13-,14-/m0/s1
InChIKey WOKXEQLPBLLWHC-IHRRRGAJSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC1=CC=C(O)C=C1)C(O)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Asp-Tyr-Met (CHEBI:161011) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Manual Xref Database
25054306 ChemSpider
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