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CHEBI:219269 - Asperiamide B

ChEBI IDCHEBI:219269
ChEBI NameAsperiamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H75NO9
Net Charge0
Average Mass738.060
Monoisotopic Mass737.54418
SMILESCCC/C=C/C=C/C=C/C=C/[C@@H](O)C(=O)N[C@@H](COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H75NO9/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-28-30-35(45)34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)43-41(50)36(46)31-29-27-25-22-12-10-8-6-4-2/h8,10,12,22,25,27,29,31,34-40,42,44-49H,3-7,9,11,13-21,23-24,26,28,30,32-33H2,1-2H3,(H,43,50)/b10-8+,22-12+,27-25+,31-29+/t34-,35+,36+,37+,38+,39-,40+,42?/m0/s1
InChIKeyXYVQIIFHEOOJMH-NZBJCEFGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1002/cjoc.200890142)
ChEBI Ontology
Outgoing Relation(s)
Asperiamide B (CHEBI:219269) is a glycosphingolipid (CHEBI:24402)
IUPAC Name 
(2R,3E,5E,7E,9E)-2-hydroxy-N-[(2S,3R)-3-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricosan-2-yl]trideca-3,5,7,9-tetraenamide
Manual XrefsDatabases
78441374ChemSpider