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CHEBI:187651 - Cytochalasin Ppho

ChEBI IDCHEBI:187651
ChEBI NameCytochalasin Ppho
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H41NO6
Net Charge0
Average Mass511.659
Monoisotopic Mass511.29339
SMILES[H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]13[C@H](OC(C)=O)/C=C/[C@](C)(O)C[C@@H](C)C/C=C/[C@@]3([H])[C@H](O)[C@@](C)(O)[C@H]2C
InChIInChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14+/t18-,19-,22-,23-,24+,25-,26-,28-,29-,30+/m0/s1
InChIKeyAVASIWUXPVFFGK-WRERFMELSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cytochalasin Ppho (CHEBI:187651) is a cytochalasan alkaloid (CHEBI:75946)
IUPAC Name 
[(1R,2R,3E,5R,7S,9E,11R,12S,13S,14S,15R,16S)-16-benzyl-5,12,13-trihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Manual XrefsDatabases
10258708ChemSpider
Registry NumbersSources
CAS:108050-27-7ChemIDplus