CHEBI:69362 - Tritoniopsin D

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ChEBI Name Tritoniopsin D
ChEBI ID CHEBI:69362
Definition A natural product found in Tritoniopsis elegans and Cladiella krempfi.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H40O7
Net Charge 0
Average Mass 464.59160
Monoisotopic Mass 464.27740
InChI InChI=1S/C26H40O7/c1-7-8-21(28)33-25(5)10-9-18(31-16(4)27)14(2)11-19-23-22(24(25)32-19)17-12-20(26(23,6)29)30-13-15(17)3/h15,17-20,22-24,29H,2,7-13H2,1,3-6H3/t15-,17+,18-,19+,20+,22+,23+,24+,25+,26-/m0/s1
InChIKey CAXUZJKWMCTHMI-UDQIIJQESA-N
SMILES [H][C@]12CC(=C)[C@H](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])OC(C)=O
Metabolite of Species Details
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
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
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 D (CHEBI:69362) has role metabolite (CHEBI:25212)
Tritoniopsin D (CHEBI:69362) is a butyrate ester (CHEBI:50477)
Tritoniopsin D (CHEBI:69362) is a oxanes (CHEBI:46942)
Synonym Source
(1R,2R,3R,4R,7R,8R,9S,10R,13S,16R)-13-Acetoxy-8-hydroxy-4,8,16-trimethyl-12-methylene-6,17-dioxatetracyclo[8.6.1.1(3,7).0(2,9)]octadec-16-yl butyrate ChEBI
Citation Waiting for Citations 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: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);