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CHEBI:213585 - Allo-murolic acid

ChEBI IDCHEBI:213585
ChEBI NameAllo-murolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O5
Net Charge0
Average Mass368.514
Monoisotopic Mass368.25627
SMILESC=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@@H](C)O)[C@H]1C(=O)O
InChIInChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h16,18-19,22H,2-15H2,1H3,(H,23,24)/t16-,18+,19+/m1/s1
InChIKeyUYUDMGMNHAKPEV-NEWSRXKRSA-N
ChEBI Ontology
Outgoing Relation(s)
Allo-murolic acid (CHEBI:213585) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
(2S,3S)-2-[(14R)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
Manual XrefsDatabases
78439727ChemSpider