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CHEBI:203651 - Mollenine A

ChEBI IDCHEBI:203651
ChEBI NameMollenine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N2O3
Net Charge0
Average Mass368.477
Monoisotopic Mass368.20999
SMILESCC(C)=CC[C@@]12C[C@@H]3C(=O)O[C@H](CC(C)C)C(=O)N3[C@@H]1Nc1ccccc12
InChIInChI=1S/C22H28N2O3/c1-13(2)9-10-22-12-17-20(26)27-18(11-14(3)4)19(25)24(17)21(22)23-16-8-6-5-7-15(16)22/h5-9,14,17-18,21,23H,10-12H2,1-4H3/t17-,18-,21+,22+/m1/s1
InChIKeyWLPAAGQHCJNVMM-UBBRYJJRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (9644070)
ChEBI Ontology
Outgoing Relation(s)
Mollenine A (CHEBI:203651) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(1S,4R,7R,9S)-9-(3-methylbut-2-enyl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
4482002ChemSpider