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CHEBI:66230 - tianshic acid

ChEBI IDCHEBI:66230
ChEBI Nametianshic acid
Stars
DefinitionAn olefinic fatty acid that is (9E)-octadec-9-enoic acid substituted by hydroxy groups at positions 8, 11 and 12. It has been isolated from Allium fistulosum and Ophiopogon japonicus.
Last Modified9 June 2016
DownloadsMolfile
FormulaC18H34O5
Net Charge0
Average Mass330.465
Monoisotopic Mass330.24062
SMILESCCCCCCC(O)C(O)/C=C/C(O)CCCCCCC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-4-8-11-16(20)17(21)14-13-15(19)10-7-5-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+
InChIKeyYFCZLXRIKFCQFU-BUHFOSPRSA-N
Species of MetaboliteComponentSourceComments
Ophiopogon japonicus (ncbitaxon:100506) tuber (BTO:0001400) Article (NAT PROD RES DEV, 2005, 17, 1)
Aesculus wilsonii (ncbitaxon:531827) - Article (ACTA PHARM SIN, 2000, 35, 198)
Allium fistulosum (ncbitaxon:35875) seed (BTO:0001226) PubMed (12381110)
Sambucus williamsii (ncbitaxon:180062) stem (BTO:0001300) PubMed (16651764)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
tianshic acid (CHEBI:66230) has role antifungal agent (CHEBI:35718)
tianshic acid (CHEBI:66230) has role plant metabolite (CHEBI:76924)
tianshic acid (CHEBI:66230) is a hydroxy monounsaturated fatty acid (CHEBI:131869)
tianshic acid (CHEBI:66230) is a olefinic fatty acid (CHEBI:53339)
IUPAC Name 
(9E)-8,11,12-trihydroxyoctadec-9-enoic acid
Manual XrefsDatabases
C00032358KNApSAcK
Registry NumbersSources
Reaxys:9431070Reaxys
Citations