Threonylhydroxyproline (CHEBI:197034)

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ChEBI Ontology

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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	Threonylhydroxyproline

ChEBI ID	CHEBI:197034

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H16N2O5

Net Charge

Average Mass

232.236

Monoisotopic Mass

232.10592

InChI

InChI=1S/C9H16N2O5/c1-4(12)7(10)8(14)11-3-5(13)2-6(11)9(15)16/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5-,6+,7+/m1/s1

InChIKey

LARRWQRLUSYTHC-JWXFUTCRSA-N

SMILES

O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](N)[C@H](O)C)C(O)=O

Metabolite of Species	Details
Cannabis sativa (NCBI:txid3483)	Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	Threonylhydroxyproline (CHEBI:197034) is a dipeptide (CHEBI:46761)

IUPAC Name

(2S,4R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid