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> Main
CHEBI:67480 - lansic acid 3-ethyl ester
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ChEBI Name
lansic acid 3-ethyl ester
ChEBI ID
CHEBI:67480
Definition
A triterpenoid that is the 3-ethyl ester of lansic acid. It has been isolated from the twigs of
Lansium domesticum
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C32H50O4
Net Charge
0
Average Mass
498.73700
Monoisotopic Mass
498.37091
InChI
InChI=1S/C32H50O4/c1-
10-
36-
30(35)
18-
20-
32(9)
26(22(4)
5)
14-
12-
24(7)
28(32)
16-
15-
27-
23(6)
11-
13-
25(21(2)
3)
31(27,8)
19-
17-
29(33)
34/h11,25-
28H,2,4,7,10,12-
20H2,1,3,5-
6,8-
9H3,(H,33,34)
/t25-
,26-
,27-
,28-
,31-
,32-
/m0/s1
InChIKey
ZLSDLEGKMGQSFU-BFIHGEENSA-N
SMILES
CCOC(=O)CC[C@@]1(C)[C@@H](CCC(=C)[C@@H]1CC[C@H]1C(C)=CC[C@@H](C(C)=C)[C@]1(C)CCC(O)=O)C(C)=C
Metabolite of Species
Details
Lansium domesticum
(NCBI:txid201017)
Found in twig
(BTO:0001411)
. 95% ethanolic extract of air-dried and powdered twigs See:
PubMed
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.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
lansic acid 3-ethyl ester (
CHEBI:67480
)
has functional parent
lansic acid (
CHEBI:67482
)
lansic acid 3-ethyl ester (
CHEBI:67480
)
has role
antibacterial agent (
CHEBI:33282
)
lansic acid 3-ethyl ester (
CHEBI:67480
)
has role
plant metabolite (
CHEBI:76924
)
lansic acid 3-ethyl ester (
CHEBI:67480
)
is a
dicarboxylic acid monoester (
CHEBI:36244
)
lansic acid 3-ethyl ester (
CHEBI:67480
)
is a
ethyl ester (
CHEBI:23990
)
lansic acid 3-ethyl ester (
CHEBI:67480
)
is a
triterpenoid (
CHEBI:36615
)
IUPAC Name
3-
[(1
S
,2
S
,6
S
)-
2-
{2-
[(1
S
,2
S
,3
S
)-
2-
(3-
ethoxy-
3-
oxopropyl)-
2-
methyl-
6-
methylidene-
3-
(prop-
1-
en-
2-
yl)cyclohexyl]ethyl}-
1,3-
dimethyl-
6-
(prop-
1-
en-
2-
yl)cyclohex-
3-
en-
1-
yl]propanoic acid
Registry Number
Type
Source
21534277
Reaxys Registry Number
Reaxys
Citation
Type
Source
21401117
PubMed citation
Europe PMC
Last Modified
02 March 2015