CHEBI:208114 - 2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate
ChEBI ID CHEBI:208114
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H36O5
Net Charge 0
Average Mass 368.514
Monoisotopic Mass 368.25627
InChI InChI=1S/C21H36O5/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-21(25)26-18-20(24)17-22/h7,9,12,15,20,22,24H,2-6,8,10-11,13-14,16-18H2,1H3/b9-7+,15-12+/t20-/m0/s1
InChIKey BABFYBAGZXSUDH-LOJIBBRESA-N
SMILES O=C(OC[C@@H](O)CO)CCCCCCC/C=C/C=C/C(=O)CCCCC
Metabolite of Species Details
Ampulloclitocybe clavipes (NCBI:txid56467) See: PubMed
ChEBI Ontology
Outgoing 2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate (CHEBI:208114) is a lipid (CHEBI:18059)
IUPAC Name
2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate
Manual Xref Database
8412689 ChemSpider
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