CHEBI:198341 - Lapatin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lapatin A
ChEBI ID CHEBI:198341
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H19N5O3
Net Charge 0
Average Mass 413.437
Monoisotopic Mass 413.14879
InChI InChI=1S/C23H19N5O3/c1-11-20(30)28-15-9-5-3-7-13(15)23(22(28)24-11)10-16-19(29)26-17(23)18-25-14-8-4-2-6-12(14)21(31)27(16)18/h2-9,11,16-17,22,24H,10H2,1H3,(H,26,29)/t11-,16-,17?,22-,23+/m0/s1
InChIKey WBCINSMUFGLFNX-KVFLIWAASA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)C4NC([C@@H]2C[C@@]45C6=C(C=CC=C6)N7[C@@H]5N[C@@H](C)C7=O)=O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Lapatin A (CHEBI:198341) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name
(1S,2'S,3'aS,16R)-2'-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione
Manual Xref Database
78440006 ChemSpider
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