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CHEBI:199892 - Thraustochytroside C

ChEBI IDCHEBI:199892
ChEBI NameThraustochytroside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H75NO8
Net Charge0
Average Mass698.039
Monoisotopic Mass697.54927
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCC
InChIInChI=1S/C40H75NO8/c1-4-6-8-10-12-13-14-15-16-17-18-20-25-29-36(44)41-33(31-48-40-39(47)38(46)37(45)35(30-42)49-40)34(43)28-24-21-23-27-32(3)26-22-19-11-9-7-5-2/h24,27-28,33-35,37-40,42-43,45-47H,4-23,25-26,29-31H2,1-3H3,(H,41,44)/b28-24+,32-27+/t33-,34+,35+,37+,38-,39+,40-/m0/s1
InChIKeyNPAVSQAMXNSXEQ-RAJLKHQJSA-N
Species of MetaboliteComponentSourceComments
Monorhizochytrium globosum (ncbitaxon:1884240) - DOI (10.1016/s0040-4039(99)01562-2)
ChEBI Ontology
Outgoing Relation(s)
Thraustochytroside C (CHEBI:199892) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadeca-4,8-dien-2-yl]hexadecanamide