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CHEBI:224959 - Thraustochytroside A

ChEBI IDCHEBI:224959
ChEBI NameThraustochytroside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H75NO8
Net Charge0
Average Mass710.050
Monoisotopic Mass709.54927
SMILESCCCCCCC/C=C/C(C)=C/CC/C=C/[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H75NO8/c1-4-6-8-10-12-13-14-15-16-17-19-21-26-30-37(45)42-34(32-49-41-40(48)39(47)38(46)36(31-43)50-41)35(44)29-25-22-24-28-33(3)27-23-20-18-11-9-7-5-2/h23,25,27-29,34-36,38-41,43-44,46-48H,4-22,24,26,30-32H2,1-3H3,(H,42,45)/b27-23+,29-25+,33-28+/t34-,35+,36+,38+,39-,40+,41-/m0/s1
InChIKeyPIJBDQIAXDOOIW-RRSHUOBHSA-N
Species of MetaboliteComponentSourceComments
Monorhizochytrium globosum (ncbitaxon:1884240) - DOI (10.1016/s0040-4039(99)01562-2)
ChEBI Ontology
Outgoing Relation(s)
Thraustochytroside A (CHEBI:224959) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]hexadecanamide
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