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CHEBI:192947 - (9Z,11E)-12-((3S,5R)-5-((R)-1-hydroxypropyl)-1,2-dioxolan-3-yl)dodeca-9,11-dienoic acid

ChEBI IDCHEBI:192947
ChEBI Name(9Z,11E)-12-((3S,5R)-5-((R)-1-hydroxypropyl)-1,2-dioxolan-3-yl)dodeca-9,11-dienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O5
Net Charge0
Average Mass326.433
Monoisotopic Mass326.20932
SMILES[H][C@]1([C@H](O)CC)C[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO1
InChIInChI=1S/C18H30O5/c1-2-16(19)17-14-15(22-23-17)12-10-8-6-4-3-5-7-9-11-13-18(20)21/h6,8,10,12,15-17,19H,2-5,7,9,11,13-14H2,1H3,(H,20,21)/b8-6-,12-10+/t15-,16-,17-/m1/s1
InChIKeyNHKZWYFRFFWLDJ-SCISLTCXSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(9Z,11E)-12-((3S,5R)-5-((R)-1-hydroxypropyl)-1,2-dioxolan-3-yl)dodeca-9,11-dienoic acid (CHEBI:192947) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(9Z,11E)-12-[(3S,5R)-5-[(1R)-1-hydroxypropyl]dioxolan-3-yl]dodeca-9,11-dienoic acid
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