CHEBI:191400 - (2R,3S)-C75

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ChEBI Name (2R,3S)-C75
ChEBI ID CHEBI:191400
ChEBI ASCII Name (2R,3S)-C75
Definition A 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid that has 2R,3S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H22O4
Net Charge 0
Average Mass 254.326
Monoisotopic Mass 254.15181
InChI InChI=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+/m1/s1
InChIKey VCWLZDVWHQVAJU-NEPJUHHUSA-N
SMILES CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2R,3S)-C75 (CHEBI:191400) is a 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid (CHEBI:191402)
(2R,3S)-C75 (CHEBI:191400) is enantiomer of (2S,3R)-C75 (CHEBI:191401)
Incoming C75 (CHEBI:189865) has part (2R,3S)-C75 (CHEBI:191400)
(2S,3R)-C75 (CHEBI:191401) is enantiomer of (2R,3S)-C75 (CHEBI:191400)
IUPAC Name
(2R,3S)-4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid
Synonyms Sources
(+)-C75 ChEBI
(2R,3S)-4-methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid ChEBI
(2R,3S)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid IUPAC
Manual Xref Database
8057182 ChemSpider
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Citation Waiting for Citations Type Source
23620264 PubMed citation Europe PMC
Last Modified
12 May 2022