CHEBI:157972 - His-Thr-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-Thr-Asp
ChEBI ID CHEBI:157972
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H21N5O7
Net Charge 0
Average Mass 371.350
Monoisotopic Mass 371.14410
InChI InChI=1S/C14H21N5O7/c1-6(20)11(13(24)18-9(14(25)26)3-10(21)22)19-12(23)8(15)2-7-4-16-5-17-7/h4-6,8-9,11,20H,2-3,15H2,1H3,(H,16,17)(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t6-,8+,9+,11+/m1/s1
InChIKey XHQYFGPIRUHQIB-PBCZWWQYSA-N
SMILES O[C@@H]([C@H](NC(=O)[C@@H](N)CC=1NC=NC1)C(=O)N[C@@H](CC(O)=O)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 )
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ChEBI Ontology
Outgoing His-Thr-Asp (CHEBI:157972) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid