CHEBI:206860 - Alachalasin A

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ChEBI Name Alachalasin A
ChEBI ID CHEBI:206860
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H31NO5
Net Charge 0
Average Mass 389.492
Monoisotopic Mass 389.22022
InChI InChI=1S/C22H31NO5/c1-10-7-6-8-14-18(26)12(3)11(2)17-13(4)23-20(27)22(14,17)16(25)9-15(24)21(5)19(10)28-21/h6,8,10,13-15,17-19,24,26H,7,9H2,1-5H3,(H,23,27)/b8-6+/t10-,13-,14-,15-,17-,18+,19+,21-,22+/m0/s1
InChIKey YXPDKMSUYDWDKY-UPYKMMFCSA-N
SMILES O=C1[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C([C@H]([C@@H]3C=CC[C@@H]([C@@H]4[C@]([C@H](C1)O)(O4)C)C)O)C)C
Metabolite of Species Details
Podospora vesticola (NCBI:txid261702) 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.
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ChEBI Ontology
Outgoing Alachalasin A (CHEBI:206860) has role fungal metabolite (CHEBI:76946)
Alachalasin A (CHEBI:206860) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1R,4S,5S,7R,8S,10E,12R,13S,16R,17S)-4,13-dihydroxy-5,8,14,15,17-pentamethyl-6-oxa-18-azatetracyclo[10.7.0.01,16.05,7]nonadeca-10,14-diene-2,19-dione
Manual Xref Database
78437879 ChemSpider
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