CHEBI:68061 - kabiramide K

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ChEBI Name kabiramide K
ChEBI ID CHEBI:68061
Definition A natural product found in Pachastrissa nux.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C46H66N4O12
Net Charge 0
Average Mass 867.03580
Monoisotopic Mass 866.46772
InChI InChI=1S/C46H66N4O12/c1-27(16-17-50(7)26-51)18-30(4)37(53)15-14-29(3)40(57-9)22-41-32(6)39(56-8)12-11-13-42-47-35(24-59-42)45-49-36(25-61-45)46-48-34(23-60-46)44(58-10)31(5)38(54)20-28(2)19-33(52)21-43(55)62-41/h11,13,16-18,23-29,31-33,38-41,44,52,54H,12,14-15,19-22H2,1-10H3/b13-11+,17-16+,30-18+/t27-,28+,29+,31+,32-,33+,38+,39+,40+,41+,44-/m1/s1
InChIKey BURLCNUJBHPOOO-RUWUMMDESA-N
SMILES CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(\C=C\C[C@H](OC)[C@H]1C)n2)[C@@H](C)CCC(=O)C(\C)=C\[C@H](C)\C=C\N(C)C=O
Metabolite of Species Details
Pachastrissa nux (WORMS:555791) Methanolic extract of macerated sponge 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 kabiramide K (CHEBI:68061) has role metabolite (CHEBI:25212)
kabiramide K (CHEBI:68061) is a diterpene lactone (CHEBI:49193)
Synonym Source
N-{(1E,3S,4E,9S,10S)-11-[(10R,11S,12S,14S,16S,20S,21R,22S,24E)-12,16-Dihydroxy-10,22-dimethoxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1[2,5].1[6,9]]hentriaconta- 1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-10-methoxy-3,5,9-trimethyl-6-oxo-1,4-undecadien-1-yl}-N-methylformamide ChEBI
Citation Waiting for Citations Type Source
21410162 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:diterpenoid(CHEBI:23849); ISA:macrolide(CHEBI:25106); ISA:enone(CHEBI:51689); ISA:oxazole(CHEBI:35790); ISA:carboxamide(CHEBI:37622); ISA:enol ether(CHEBI:47985); ISA:olefinic compound(CHEBI:78840); HFP:acrylic acid(CHEBI:18308); ISA:lactone(CHEBI:25000); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:ketone(CHEBI:17087); ISA:carboxylic acid(CHEBI:33575); ISA:enamine(CHEBI:47989); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698);