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CHEBI:217672 - (2S,3R,4E,8E)-1-(beta-D-glucopyranosyl)-3-hydroxy-2-[(R)-2′-hydroxyheptadecanoyl]amino-9-methyl-4,8-octadecadiene

ChEBI IDCHEBI:217672
ChEBI Name(2S,3R,4E,8E)-1-(beta-D-glucopyranosyl)-3-hydroxy-2-[(R)-2′-hydroxyheptadecanoyl]amino-9-methyl-4,8-octadecadiene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H79NO9
Net Charge0
Average Mass742.092
Monoisotopic Mass741.57548
SMILESCCCCCCCCCCCCCCC[C@@H](O)C(=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)CCCCCCCCC
InChIInChI=1S/C42H79NO9/c1-4-6-8-10-12-13-14-15-16-17-19-21-25-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-22-24-28-33(3)27-23-20-18-11-9-7-5-2/h26,28-29,34-40,42,44-49H,4-25,27,30-32H2,1-3H3,(H,43,50)/b29-26+,33-28+/t34-,35+,36+,37+,38+,39-,40+,42+/m0/s1
InChIKeyJSPNNZKWADNWHI-PNANGNLXSA-N
Species of MetaboliteComponentSourceComments
Albatrellus ellisii (ncbitaxon:80570) - DOI (10.1007/s11745-001-0752-2)
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4E,8E)-1-(beta-D-glucopyranosyl)-3-hydroxy-2-[(R)-2′-hydroxyheptadecanoyl]amino-9-methyl-4,8-octadecadiene (CHEBI:217672) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
(2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]heptadecanamide
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