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CHEBI:136777 - S-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine

ChEBI IDCHEBI:136777
ChEBI NameS-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine
Stars
ASCII NameS-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine
DefinitionA dipeptide that is cysteinylglycine in which the thiol hydrogen has been replaced by a 4-hydroxy-1-oxononan-3-yl group.
Last Modified15 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC14H26N2O5S
Net Charge0
Average Mass334.438
Monoisotopic Mass334.15624
SMILESCCCCCC(O)C(CC=O)SCC(N)C(=O)NCC(=O)O
InChIInChI=1S/C14H26N2O5S/c1-2-3-4-5-11(18)12(6-7-17)22-9-10(15)14(21)16-8-13(19)20/h7,10-12,18H,2-6,8-9,15H2,1H3,(H,16,21)(H,19,20)
InChIKeyLQTWZQSULMRBEE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- MetaboLights (MTBLS312)
- PubMed (27500669)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
ChEBI Ontology
Outgoing Relation(s)
S-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine (CHEBI:136777) has role Brassica napus metabolite (CHEBI:140165)
S-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine (CHEBI:136777) is a aliphatic sulfide (CHEBI:22327)
S-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine (CHEBI:136777) is a dipeptide (CHEBI:46761)
S-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine (CHEBI:136777) is a hydroxyaldehyde (CHEBI:50413)
S-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine (CHEBI:136777) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
S-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine
Synonym  Source
4-hydroxy-2-nonenal-Cys-Gly conjugateChEBI