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.
Supplier Information
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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 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: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);