CHEBI:189316 - Malyngolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Malyngolide
ChEBI ID CHEBI:189316
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H30O3
Net Charge 0
Average Mass 270.413
Monoisotopic Mass 270.21949
InChI InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-11-16(13-17)12-10-14(2)15(18)19-16/h14,17H,3-13H2,1-2H3/t14-,16+/m1/s1
InChIKey OEXPVULGTKWKEH-ZBFHGGJFSA-N
SMILES O1[C@](CC[C@H](C1=O)C)(CCCCCCCCC)CO
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Malyngolide (CHEBI:189316) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
(3R,6S)-6-(hydroxymethyl)-3-methyl-6-nonyloxan-2-one
Manual Xref Database
137119 ChemSpider
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Registry Number Type Source
71582-80-4 CAS Registry Number ChemIDplus