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CHEBI:206860 - Alachalasin A

ChEBI IDCHEBI:206860
ChEBI NameAlachalasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO5
Net Charge0
Average Mass389.492
Monoisotopic Mass389.22022
SMILESCC1=C(C)[C@H]2[C@H](C)NC(=O)[C@]23C(=O)C[C@H](O)[C@]2(C)O[C@@H]2[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=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
InChIKeyYXPDKMSUYDWDKY-UPYKMMFCSA-N
Species of MetaboliteComponentSourceComments
Podospora vesticola (ncbitaxon:261702) - PubMed (18365343)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78437879ChemSpider