CHEBI:206963 - 19-hydroxyl-19,20-dihydrophomacin C

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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 19-hydroxyl-19,20-dihydrophomacin C
ChEBI ID CHEBI:206963
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H39NO5
Net Charge 0
Average Mass 433.589
Monoisotopic Mass 433.28282
InChI InChI=1S/C25H39NO5/c1-13(2)6-19-23-16(5)15(4)9-18-8-14(3)7-17(12-27)10-20(28)21(29)11-22(30)25(18,23)24(31)26-19/h8-9,13,16-21,23,27-29H,6-7,10-12H2,1-5H3,(H,26,31)/b14-8+/t16-,17+,18+,19+,20+,21+,23+,25-/m1/s1
InChIKey JEPMATUFQDEVNO-AYHVEROOSA-N
SMILES O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](C[C@@H]([C@H](C1)O)O)CO)C)C)CC(C)C
Metabolite of Species Details
Westerdykella dispersa (NCBI:txid45154) See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 19-hydroxyl-19,20-dihydrophomacin C (CHEBI:206963) has role fungal metabolite (CHEBI:76946)
19-hydroxyl-19,20-dihydrophomacin C (CHEBI:206963) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1S,4S,5S,7S,9E,11S,14S,15R,16S)-4,5-dihydroxy-7-(hydroxymethyl)-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,18-dione
Manual Xref Database
63002594 ChemSpider
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