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CHEBI:184397 - (3'-SulfO)galbeta-cer(D18:1/20:0)

ChEBI IDCHEBI:184397
ChEBI Name(3'-SulfO)galbeta-cer(D18:1/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H85NO11S
Net Charge0
Average Mass836.227
Monoisotopic Mass835.58433
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)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H85NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-54-44-42(50)43(56-57(51,52)53)41(49)39(35-46)55-44/h31,33,37-39,41-44,46-47,49-50H,3-30,32,34-36H2,1-2H3,(H,45,48)(H,51,52,53)/b33-31+/t37-,38+,39+,41-,42?,43?,44+/m0/s1
InChIKeyAURCBSWGPREGRQ-VGNRXBDKSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(3'-SulfO)galbeta-cer(D18:1/20:0) (CHEBI:184397) is a sulfoglycosphingolipid (CHEBI:36477)
IUPAC Name 
[(2R,5S,6R)-3,5-dihydroxy-2-[(E,2S,3R)-3-hydroxy-2-(icosanoylamino)octadec-4-enoxy]-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate
Manual XrefsDatabases
24823253ChemSpider
GALACTOSYLCERAMIDE-SULFATEMetaCyc
C06125KEGG COMPOUND
LMSP06020010LIPID MAPS
HMDB0012315HMDB