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CHEBI:134410 - S-octanoyl-L-cysteine

ChEBI IDCHEBI:134410
ChEBI NameS-octanoyl-L-cysteine
Stars
ASCII NameS-octanoyl-L-cysteine
DefinitionAn L-cysteine derivative obtained by formal condensation of the carboxy group of octanoic acid with the side-chain thiol group of L-cysteine.
Last Modified3 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC11H21NO3S
Net Charge0
Average Mass247.360
Monoisotopic Mass247.12421
SMILESCCCCCCCC(=O)SC[C@H](N)C(=O)O
InChIInChI=1S/C11H21NO3S/c1-2-3-4-5-6-7-10(13)16-8-9(12)11(14)15/h9H,2-8,12H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyVPHGZJNWNJRHQO-VIFPVBQESA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
S-octanoyl-L-cysteine (CHEBI:134410) has functional parent octanoic acid (CHEBI:28837)
S-octanoyl-L-cysteine (CHEBI:134410) is a L-cysteine derivative (CHEBI:83824)
S-octanoyl-L-cysteine (CHEBI:134410) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
S-octanoyl-L-cysteine (CHEBI:134410) is a thioester (CHEBI:51277)
IUPAC Name 
S-octanoyl-L-cysteine
Synonym  Source
S-octanoylcysteineChEBI
Registry NumbersSources
Reaxys:8846221Reaxys