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CHEBI:183170 - (3'-sulfo)Galbeta-Cer(d18:0/2-OH-20:0)

ChEBI IDCHEBI:183170
ChEBI Name(3'-sulfo)Galbeta-Cer(d18:0/2-OH-20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H85NO12S
Net Charge0
Average Mass852.226
Monoisotopic Mass851.57925
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(=O)O)C1O)NC(=O)C(O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H85NO12S/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(51)45-36(37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2)35-55-44-41(50)42(57-58(52,53)54)40(49)39(34-46)56-44/h30,32,36-42,44,46-50H,3-29,31,33-35H2,1-2H3,(H,45,51)(H,52,53,54)/b32-30+/t36-,37+,38?,39+,40-,41?,42?,44+/m0/s1
InChIKeyBSPHGAPKLMNQGB-PIWARLTLSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
(3'-sulfo)Galbeta-Cer(d18:0/2-OH-20:0) (CHEBI:183170) is a sulfoglycosphingolipid (CHEBI:36477)
IUPAC Name 
[(2R,5S,6R)-3,5-dihydroxy-2-[(E,2S,3R)-3-hydroxy-2-(2-hydroxyicosanoylamino)octadec-4-enoxy]-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate
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LMSP06020005LIPID MAPS
24823251ChemSpider