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> Main
CHEBI:66230 - tianshic acid
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ChEBI Name
tianshic acid
ChEBI ID
CHEBI:66230
Definition
An olefinic fatty acid that is (9
E
)-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.
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Formula
C18H34O5
Net Charge
0
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 (Br
o
nsted 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.
View more via ChEBI Ontology
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
(9
E
)-8,11,12-trihydroxyoctadec-9-enoic acid
Manual Xref
Database
C00032358
KNApSAcK
View more database links
Registry Number
Type
Source
9431070
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12381110
PubMed citation
Europe PMC
16651764
PubMed citation
Europe PMC
18619265
PubMed citation
Europe PMC
23186307
PubMed citation
Europe PMC
344523
Chinese Abstracts citation
Europe PMC
470504
Chinese Abstracts citation
Europe PMC
Last Modified
09 June 2016
General Comments
2012-07-27
ACTA PHARM SIN, 2000, 35, 198
2012-07-27
NAT PROD RES DEV, 2005, 17, 1