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CHEBI:210266 - Longichalasin A

ChEBI IDCHEBI:210266
ChEBI NameLongichalasin A
Stars
Last Modified28 February 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO3
Net Charge0
Average Mass431.576
Monoisotopic Mass431.24604
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)C[C@H]2C(C)=C[C@@H](C)C[C@H]4O[C@H]1[C@@H]3[C@@H]42
InChIInChI=1S/C28H33NO3/c1-14-10-15(2)19-13-22(30)28-24(20(29-27(28)31)12-18-8-6-5-7-9-18)16(3)17(4)26-25(28)23(19)21(11-14)32-26/h5-10,14,16,19-21,23-26H,4,11-13H2,1-3H3,(H,29,31)/t14-,16-,19+,20+,21-,23-,24+,25+,26-,28-/m1/s1
InChIKeyKQJMIGIIKJNGAI-CWJYUWDKSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (32717916)
ChEBI Ontology
Outgoing Relation(s)
Longichalasin A (CHEBI:210266) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1S,3S,4R,5S,8R,11R,14S,16R,17S,18R)-5-benzyl-3,12,14-trimethyl-2-methylidene-19-oxa-6-azapentacyclo[14.2.1.04,8.08,18.011,17]nonadec-12-ene-7,9-dione
Manual XrefsDatabases
90298207ChemSpider
Citations