CHEBI:68060 - kabiramide J

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ChEBI Name kabiramide J
ChEBI ID CHEBI:68060
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 C46H65N5O13
Net Charge 0
Average Mass 896.03400
Monoisotopic Mass 895.45789
InChI InChI=1S/C46H65N5O13/c1-26(15-16-51(7)25-52)17-29(4)36(53)14-13-28(3)39(58-8)21-40-30(5)37(54)11-10-12-41-48-34(23-60-41)44-50-35(24-62-44)45-49-33(22-61-45)43(59-9)31(6)38(55)19-27(2)18-32(63-46(47)57)20-42(56)64-40/h10,12,15-17,22-28,30-32,37-40,43,54-55H,11,13-14,18-21H2,1-9H3,(H2,47,57)/b12-10+,16-15+,29-17+/t26-,27+,28+,30-,31+,32+,37+,38+,39+,40+,43-/m1/s1
InChIKey YGIPHYWFBPFNFA-AWOSXSGWSA-N
SMILES CO[C@@H](C[C@@H]1OC(=O)C[C@H](C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(\C=C\C[C@H](O)[C@H]1C)n2)OC(N)=O)[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 J (CHEBI:68060) has role metabolite (CHEBI:25212)
kabiramide J (CHEBI:68060) is a diterpene lactone (CHEBI:49193)
Synonym Source
(10R,11S,12S,14R,16S,20S,21R,22S,24E)-20-{(2S,3S,7E,9S,10E)-11-[Formyl(methyl)amino]-2-methoxy-3,7,9-trimethyl-6-oxo-7,10-undecadien-1-yl}-12,22-dihydroxy-10-methoxy-11,14,21-trimethyl-18-oxo-3,7,19,2 7-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-16-yl carbamate 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:carboxamide(CHEBI:37622); ISA:carbamate ester(CHEBI:23003); ISA:oxazole(CHEBI:35790); 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);