CHEBI:133325 - 9,10,18-trihydroxyoctadecanoic acid

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ChEBI Name 9,10,18-trihydroxyoctadecanoic acid
ChEBI ID CHEBI:133325
Definition An ω-hydroxy fatty acid that is 18-hydroxyoctadecanoic acid carrying two additional hydroxy substituents at positions 9 and 10.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H36O5
Net Charge 0
Average Mass 332.476
Monoisotopic Mass 332.25627
InChI InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)
InChIKey OISFHODBOQNZAG-UHFFFAOYSA-N
SMILES C(C(C(CCCCCCCCO)O)O)CCCCCCC(=O)O
Metabolite of Species Details
Clivia miniata (NCBI:txid16049) Found in leaf (BTO:0000713). See: PubMed
Vaccinium myrtillus (NCBI:txid180763) Found in fruit (BTO:0000486). See: PubMed
Vaccinium vitis-idaea (NCBI:txid180772) Found in fruit (BTO:0000486). See: PubMed
Hippophae rhamnoides (NCBI:txid193516) Found in fruit (BTO:0000486). See: PubMed
Malus pumila (NCBI:txid283210) Found in fruit (BTO:0000486). See: PubMed
Diospyros kaki (NCBI:txid35925) Found in fruit (BTO:0000486). See: PubMed
Glycine max (NCBI:txid3847) See: PubMed
Glycine max (NCBI:txid3847) See: MetaboLights Study
Glycine max (NCBI:txid3847) See: MetaboLights Study
Vicia sativa (NCBI:txid3908) See: PubMed
Prunus avium (NCBI:txid42229) Found in fruit (BTO:0000486). See: PubMed
Triticum aestivum (NCBI:txid4565) Found in leaf (BTO:0000713). See: PubMed
Vaccinium oxycoccos (NCBI:txid516948) Found in fruit (BTO:0000486). See: PubMed
Ribes nigrum (NCBI:txid78511) Found in fruit (BTO:0000486). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9,10,18-trihydroxyoctadecanoic acid (CHEBI:133325) has role plant metabolite (CHEBI:76924)
9,10,18-trihydroxyoctadecanoic acid (CHEBI:133325) is a ω-hydroxy fatty acid (CHEBI:10615)
9,10,18-trihydroxyoctadecanoic acid (CHEBI:133325) is a hydroxyoctadecanoic acid (CHEBI:24747)
9,10,18-trihydroxyoctadecanoic acid (CHEBI:133325) is a triol (CHEBI:27136)
IUPAC Name
9,10,18-trihydroxyoctadecanoic acid
Synonyms Sources
9,10,18-trihydroxy-octadecanoic acid LIPID MAPS
9,10,18-trihydroxystearic acid ChEBI
Manual Xrefs Databases
24784821 ChemSpider
C00034431 KNApSAcK
C19621 KEGG COMPOUND
EP1206481 Patent
LMFA02000147 LIPID MAPS
US2002070167 Patent
US2003109727 Patent
US2005158414 Patent
US6768016 Patent
US6815553 Patent
WO0110885 Patent
View more database links
Registry Numbers Types Sources
1798791 Reaxys Registry Number Reaxys
496-86-6 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
11171237 PubMed citation Europe PMC
1567426 PubMed citation Europe PMC
16417304 PubMed citation Europe PMC
17328933 PubMed citation Europe PMC
18998700 PubMed citation Europe PMC
23384782 PubMed citation Europe PMC
240326 PubMed citation Europe PMC
24086493 PubMed citation Europe PMC
24197199 PubMed citation Europe PMC
24221429 PubMed citation Europe PMC
4356240 PubMed citation Europe PMC
Last Modified
23 March 2017