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> Main
CHEBI:69361 - Tritoniopsin C, rel-
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ChEBI Name
Tritoniopsin C, rel-
ChEBI ID
CHEBI:69361
Definition
A natural product found in
Tritoniopsis elegans
and
Cladiella krempfi
.
Stars
This entity has been manually annotated by a third party.
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Formula
C24H38O6
Net Charge
0
Average Mass
422.55490
Monoisotopic Mass
422.26684
InChI
InChI=1S/C24H38O6/c1-
6-
7-
19(26)
30-
23(4)
9-
8-
16(25)
13(2)
10-
17-
21-
20(22(23)
29-
17)
15-
11-
18(24(21,5)
27)
28-
12-
14(15)
3/h14-
18,20-
22,25,27H,2,6-
12H2,1,3-
5H3/t14-
,15+,16-
,17+,18+,20+,21+,22+,23+,24-
/m0/s1
InChIKey
QXOPUTCYOIAJPS-CVMYZUFNSA-N
SMILES
[H]
[C@]
12CC(=C)
[C@@H]
(O)
CC[C@@]
(C)
(OC(=O)
CCC)
[C@]
([H]
)
(O1)
[C@]
1([H]
)
[C@]
3([H]
)
C[C@@]
([H]
)
(OC[C@@H]
3C)
[C@]
(C)
(O)
[C@]
21[H]
Metabolite of Species
Details
Tritoniopsis elegans
(NCBI:txid152756)
Found in mantle
(BTO:0000825)
. Acetone extract of mantle and glands and Tritoniopsis elegans found grazing on Cladiella krempfi See:
PubMed
Tritoniopsis elegans
(NCBI:txid152756)
Found in gland
(BTO:0000522)
. Acetone extract of mantle and glands and Tritoniopsis elegans found grazing on Cladiella krempfi See:
PubMed
Cladiella krempfi
(WORMS:209611)
Acetone extract of frozen specimens See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Tritoniopsin C, rel- (
CHEBI:69361
)
has role
metabolite (
CHEBI:25212
)
Tritoniopsin C, rel- (
CHEBI:69361
)
is a
butyrate ester (
CHEBI:50477
)
Tritoniopsin C, rel- (
CHEBI:69361
)
is a
oxanes (
CHEBI:46942
)
Synonym
Source
rel-
(1R,2R,3R,4R,7R,8R,9S,10R,13S,16R)-
8,13-
Dihydroxy-
4,8,16-
trimethyl-
12-
methylene-
6,17-
dioxatetracyclo[8.6.1.1(3,7).0(2,9)]octadec-
16-
yl butyrate
ChEBI
Citation
Type
Source
21861494
PubMed citation
Europe PMC
Last Modified
26 August 2015
General Comment
2014-10-17
Suggested Classification: ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);