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CHEBI:176408 - Scyphostatin A

ChEBI IDCHEBI:176408
ChEBI NameScyphostatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H45NO5
Net Charge0
Average Mass511.703
Monoisotopic Mass511.32977
SMILESCC[C@@H](C)/C=C(\C)C[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21
InChIInChI=1S/C31H45NO5/c1-6-22(2)17-24(4)19-25(5)18-23(3)13-11-9-7-8-10-12-14-29(35)32-26(21-33)20-31(36)28(34)16-15-27-30(31)37-27/h7-17,22-23,25-27,30,33,36H,6,18-21H2,1-5H3,(H,32,35)/b9-7+,10-8+,13-11+,14-12+,24-17+/t22-,23+,25+,26+,27+,30+,31-/m1/s1
InChIKeyCCAHAWZXHIPJRB-NAKAOWIOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
Scyphostatin A (CHEBI:176408) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E,6E,8E,10R,12S,14E,16R)-N-[(2S)-1-hydroxy-3-[(1S,2S,6S)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-2-yl]propan-2-yl]-10,12,14,16-tetramethyloctadeca-2,4,6,8,14-pentaenamide
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24823239ChemSpider
LMSP01080060LIPID MAPS