CHEBI:69359 - Tritoniopsin A, rel-

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ChEBI Name Tritoniopsin A, rel-
ChEBI ID CHEBI:69359
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 C24H38O5
Net Charge 0
Average Mass 406.55550
Monoisotopic Mass 406.27192
InChI InChI=1S/C24H38O5/c1-6-8-19(25)29-23(4)10-7-9-14(2)11-17-21-20(22(23)28-17)16-12-18(24(21,5)26)27-13-15(16)3/h9,15-18,20-22,26H,6-8,10-13H2,1-5H3/b14-9+/t15-,16+,17+,18+,20+,21+,22+,23+,24-/m0/s1
InChIKey PJCYPUODMUBESE-GHSAYXMXSA-N
SMILES [H][C@]12C\C(C)=C\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.
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ChEBI Ontology
Outgoing Tritoniopsin A, rel- (CHEBI:69359) has role metabolite (CHEBI:25212)
Tritoniopsin A, rel- (CHEBI:69359) is a butyrate ester (CHEBI:50477)
Tritoniopsin A, rel- (CHEBI:69359) is a oxanes (CHEBI:46942)
Synonym Source
rel-(1R,2R,3R,4R,7R,8R,9S,10R,12E,16R)-8-Hydroxy-4,8,12,16-tetramethyl-6,17-dioxatetracyclo[8.6.1.1(3,7).0(2,9)]octadec-12-en-16-yl butyrate ChEBI
Manual Xref Database
27025605 ChemSpider
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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);