tianshic acid (CHEBI:66230)

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ChEBI Name	tianshic acid

ChEBI ID	CHEBI:66230

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H34O5

Net Charge

Average Mass

330.45960

Monoisotopic Mass

330.24062

InChI

InChI=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+

InChIKey

YFCZLXRIKFCQFU-BUHFOSPRSA-N

SMILES

CCCCCCC(O)C(O)\C=C\C(O)CCCCCCC(O)=O

Metabolite of Species	Details
Ophiopogon japonicus (NCBI:txid100506)	Found in tuber (BTO:0001400). See: NAT PROD RES DEV, 2005, 17, 1
Sambucus williamsii (NCBI:txid180062)	Found in stem (BTO:0001300). See: PubMed
Allium fistulosum (NCBI:txid35875)	Found in seed (BTO:0001226). See: PubMed
Aesculus wilsonii (NCBI:txid531827)	See: ACTA PHARM SIN, 2000, 35, 198

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. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
9431070	Reaxys Registry Number	Reaxys

Last Modified

09 June 2016