Met-Thr-Thr (CHEBI:161117)

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CHEBI:161117 - Met-Thr-Thr

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ChEBI ID	CHEBI:161117
ChEBI Name	Met-Thr-Thr
Stars
Last Modified	20 March 2025
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H25N3O6S
Net Charge	0
Average Mass	351.425
Monoisotopic Mass	351.14641
SMILES	CSCC[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O
InChI	InChI=1S/C13H25N3O6S/c1-6(17)9(15-11(19)8(14)4-5-23-3)12(20)16-10(7(2)18)13(21)22/h6-10,17-18H,4-5,14H2,1-3H3,(H,15,19)(H,16,20)(H,21,22)/t6-,7-,8+,9+,10+/m1/s1
InChIKey	QYIGOFGUOVTAHK-ZJDVBMNYSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Met-Thr-Thr (CHEBI:161117) is a tripeptide (CHEBI:47923)

IUPAC Name
(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid

Manual Xrefs	Databases
8100230	ChemSpider