CHEBI:34811 - lactobacillic acid

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ChEBI Name lactobacillic acid ChEBI ID CHEBI:34811 Definition An 11,12-methyleneoctadecanoic acid having (11R,12S)-configuration. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ZINC000095796531 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H36O2 Net Charge 0 Average Mass 296.48790 Monoisotopic Mass 296.27153 InChI InChI=1S/C19H36O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17-,18+/m0/s1 InChIKey IJKRDVKGCQRKBI-ZWKOTPCHSA-N SMILES CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(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 lactobacillic acid (CHEBI:34811) is a 11,12-methyleneoctadecanoic acid (CHEBI:61456) IUPAC Name 10-[(1R,2S)-2-hexylcyclopropyl]decanoic acid Synonyms Sources (11R,12S)-lactobacillic acid ChEBI (1R,2S)-1-(9'-carboxynon-1'-yl)-2-hexylcyclopropane ChEBI (1R,2S)-2-hexylcyclopropanedecanoic acid ChEBI (R,S)-11,12-methyleneoctadecanoic acid ChEBI 11,12-Mt 18:0 ChEBI 11R,12S-Methylene-octadecanoic acid KEGG COMPOUND acide-methylene-11R,12S-octadecanoïque ChEBI C19:0 cyclov8c ChEBI Lactobacillsäure ChEBI phytomonic acid ChemIDplus Phytomonsäure ChEBI Manual Xrefs Databases C13838 KEGG COMPOUND LMFA01140001 LIPID MAPS View more database links Registry Numbers Types Sources 2331563 Reaxys Registry Number Reaxys 503-06-0 CAS Registry Number ChemIDplus Citations Types Sources 13211606 PubMed citation Europe PMC 14353943 PubMed citation Europe PMC 14402440 PubMed citation Europe PMC Last Modified 25 February 2011