CHEBI:187598 - GlcCer(d18:2(4E,8Z)/17:0(2OH[R]))

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ChEBI Name GlcCer(d18:2(4E,8Z)/17:0(2OH[R]))
ChEBI ID CHEBI:187598
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H77NO9
Net Charge 0
Average Mass 728.065
Monoisotopic Mass 727.55983
InChI InChI=1S/C41H77NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(44)33(32-50-41-39(48)38(47)37(46)36(31-43)51-41)42-40(49)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,33-39,41,43-48H,3-18,20,22-26,28,30-32H2,1-2H3,(H,42,49)/b21-19-,29-27+/t33-,34+,35+,36+,37+,38?,39?,41+/m0/s1
InChIKey DEFSRBORDYELNV-ADINSYADSA-N
SMILES O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC[C@H](NC(=O)[C@H](O)CCCCCCCCCCCCCCC)[C@H](O)/C=C/CC/C=C\CCCCCCCCC)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing GlcCer(d18:2(4E,8Z)/17:0(2OH[R])) (CHEBI:187598) is a glycosylceramide (CHEBI:62941)
IUPAC Name
(2R)-2-hydroxy-N-[(2S,3R,4E,8Z)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]heptadecanamide
Manual Xref Database
LMSP05010049 LIPID MAPS
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