CHEBI:228041 - 16-hydroxymethylaspergillin PZ

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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 16-hydroxymethylaspergillin PZ
ChEBI ID CHEBI:228041
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H37NO4
Net Charge 0
Average Mass 415.574
Monoisotopic Mass 415.27226
InChI InChI=1S/C25H37NO4/c1-12(2)6-18-21-14(4)13(3)7-17-22-16(9-20(28)25(17,21)23(29)26-18)19-8-15(11-27)10-24(22,5)30-19/h7,12,14-19,21-22,27H,6,8-11H2,1-5H3,(H,26,29)/t14-,15-,16-,17-,18+,19-,21+,22+,24+,25-/m1/s1
InChIKey FNAWUKKMCPWLMR-UHRWYVDDSA-N
SMILES O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3[C@H]4[C@@]5(C[C@@H](C[C@H]([C@H]4C1)O5)CO)C)C)CC(C)C
Metabolite of Species Details
Westerdykella dispersa (NCBI:txid45154) See: DOI
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 16-hydroxymethylaspergillin PZ (CHEBI:228041) has role fungal metabolite (CHEBI:76946)
16-hydroxymethylaspergillin PZ (CHEBI:228041) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1S,2R,3R,6S,7R,8S,11S,14S,15R,17R)-17-(hydroxymethyl)-1,5,6-trimethyl-8-(2-methylpropyl)-19-oxa-9-azapentacyclo[13.3.1.02,14.03,11.07,11]nonadec-4-ene-10,12-dione
Manual Xref Database
78317890 ChemSpider
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