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

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ChEBI Name S-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine
ChEBI ID CHEBI:136777
ChEBI ASCII Name S-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine
Definition A dipeptide that is cysteinylglycine in which the thiol hydrogen has been replaced by a 4-hydroxy-1-oxononan-3-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H26N2O5S
Net Charge 0
Average Mass 334.433
Monoisotopic Mass 334.15624
InChI InChI=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)
InChIKey LQTWZQSULMRBEE-UHFFFAOYSA-N
SMILES S(C(C(O)CCCCC)CC=O)CC(N)C(=O)NCC(O)=O
Metabolite of Species Details
Brassica napus (NCBI:txid3708) See: MetaboLights Study
Brassica napus (NCBI:txid3708) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): Brassica napus metabolite
Any plant metabolite that is produced by rapeseed (Brassica napus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 conjugate ChEBI
Last Modified
15 March 2018