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CHEBI:230377 - Trihexosylceramide (d18:1/12:0)

ChEBI IDCHEBI:230377
ChEBI NameTrihexosylceramide (d18:1/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H79NO13
Net Charge0
Average Mass806.088
Monoisotopic Mass805.55514
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C42H79NO13/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-31(46)30(43-34(47)26-24-22-20-17-12-10-8-6-4-2)29-53-41-39(52)37(50)40(33(28-45)55-41)56-42-38(51)36(49)35(48)32(27-44)54-42/h23,25,30-33,35-42,44-46,48-52H,3-22,24,26-29H2,1-2H3,(H,43,47)/b25-23+/t30-,31+,32+,33+,35-,36-,37+,38+,39+,40+,41+,42-/m0/s1
InChIKeyKNWHKVBHCLQVFX-CZUYTOTJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Trihexosylceramide (d18:1/12:0) (CHEBI:230377) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
N-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]dodecanamide
Manual XrefsDatabases
58145727ChemSpider
HMDB0004866HMDB