CHEBI:161095 - Met-Thr-Gln

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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 Met-Thr-Gln
ChEBI ID CHEBI:161095
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H26N4O6S
Net Charge 0
Average Mass 378.440
Monoisotopic Mass 378.15731
InChI InChI=1S/C14H26N4O6S/c1-7(19)11(18-12(21)8(15)5-6-25-2)13(22)17-9(14(23)24)3-4-10(16)20/h7-9,11,19H,3-6,15H2,1-2H3,(H2,16,20)(H,17,22)(H,18,21)(H,23,24)/t7-,8+,9+,11+/m1/s1
InChIKey SPSSJSICDYYTQN-HJGDQZAQSA-N
SMILES S(CC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCC(=O)N)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 Met-Thr-Gln (CHEBI:161095) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
Manual Xref Database
8375168 ChemSpider
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