CHEBI:221773 - Penigainamide B

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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 Penigainamide B
ChEBI ID CHEBI:221773
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22N2O8S
Net Charge 0
Average Mass 462.470
Monoisotopic Mass 462.10969
InChI InChI=1S/C21H22N2O8S/c1-22-13-16(9-4-6-11(28-2)15(29-3)14(9)25)32-21(19(22)27)8-20-12(30-20)7-5-10(24)17(20)31-23(21)18(13)26/h4-7,10,12-13,16-17,24-25H,8H2,1-3H3/t10-,12+,13-,16+,17+,20+,21-/m1/s1
InChIKey FXSSKIYDLXEJOO-MVMWFNCZSA-N
SMILES S1[C@]23N(O[C@H]4[C@H](O)C=C[C@H]5[C@]4(C2)O5)C(=O)[C@@H]([C@@H]1C6=C(O)C(OC)=C(OC)C=C6)N(C3=O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penigainamide B (CHEBI:221773) is a organonitrogen heterocyclic compound (CHEBI:38101)
Penigainamide B (CHEBI:221773) is a organosulfur heterocyclic compound (CHEBI:38106)