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CHEBI:34811 - lactobacillic acid

ChEBI IDCHEBI:34811
ChEBI Namelactobacillic acid
Stars
DefinitionAn 11,12-methyleneoctadecanoic acid having (11R,12S)-configuration.
Last Modified25 February 2011
DownloadsMolfile
FormulaC19H36O2
Net Charge0
Average Mass296.495
Monoisotopic Mass296.27153
SMILESCCCCCC[C@H]1C[C@H]1CCCCCCCCCC(=O)O
InChIInChI=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
InChIKeyIJKRDVKGCQRKBI-ZWKOTPCHSA-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)
lactobacillic acid (CHEBI:34811) is a 11,12-methyleneoctadecanoic acid (CHEBI:61456)
IUPAC Name 
10-[(1R,2S)-2-hexylcyclopropyl]decanoic acid
Synonyms  Source
11R,12S-Methylene-octadecanoic acidKEGG COMPOUND
phytomonic acidChemIDplus
(1R,2S)-2-hexylcyclopropanedecanoic acidChEBI
(11R,12S)-lactobacillic acidChEBI
acide-methylene-11R,12S-octadecanoïqueChEBI
(1R,2S)-1-(9'-carboxynon-1'-yl)-2-hexylcyclopropaneChEBI
Manual XrefsDatabases
C13838KEGG COMPOUND
LMFA01140001LIPID MAPS
Registry NumbersSources
Reaxys:2331563Reaxys
CAS:503-06-0ChemIDplus
Citations