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CHEBI:191401 - (2S,3R)-C75

ChEBI IDCHEBI:191401
ChEBI Name(2S,3R)-C75
Stars
ASCII Name(2S,3R)-C75
DefinitionA 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid that has 2S,3R-configuration.
Last Modified12 May 2022
SubmitterAdnan
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESC=C1C(=O)O[C@@H](CCCCCCCC)[C@@H]1C(=O)O
InChIInChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyVCWLZDVWHQVAJU-NWDGAFQWSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-C75 (CHEBI:191401) is a 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid (CHEBI:191402)
(2S,3R)-C75 (CHEBI:191401) is enantiomer of (2R,3S)-C75 (CHEBI:191400)
Incoming Relation(s)
C75 (CHEBI:189865) has part (2S,3R)-C75 (CHEBI:191401)
(2R,3S)-C75 (CHEBI:191400) is enantiomer of (2S,3R)-C75 (CHEBI:191401)
IUPAC Name 
(2S,3R)-4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid
Synonyms  Source
(2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acidIUPAC
(−)-C75ChEBI
(2S,3R)-4-methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acidChEBI
Manual XrefsDatabases
4982717ChemSpider
Citations