CHEBI:161123 - Met-Thr-Val

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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-Val
ChEBI ID CHEBI:161123
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H27N3O5S
Net Charge 0
Average Mass 349.450
Monoisotopic Mass 349.16714
InChI InChI=1S/C14H27N3O5S/c1-7(2)10(14(21)22)16-13(20)11(8(3)18)17-12(19)9(15)5-6-23-4/h7-11,18H,5-6,15H2,1-4H3,(H,16,20)(H,17,19)(H,21,22)/t8-,9+,10+,11+/m1/s1
InChIKey ZBLSZPYQQRIHQU-RCWTZXSCSA-N
SMILES S(CC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](C(C)C)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 Met-Thr-Val (CHEBI:161123) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid