EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:183194 - (3'-sulfo)Galbeta-Cer(d18:0/2-OH-24:1(15Z))

ChEBI IDCHEBI:183194
ChEBI Name(3'-sulfo)Galbeta-Cer(d18:0/2-OH-24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H91NO12S
Net Charge0
Average Mass906.318
Monoisotopic Mass905.62620
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(=O)O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C48H91NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h17-18,34,36,40-46,48,50-54H,3-16,19-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/b18-17-,36-34+/t40-,41+,42?,43+,44-,45?,46?,48+/m0/s1
InChIKeyYKQKWZCXBGRDPT-CSTHVWECSA-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-24:1(15Z)) (CHEBI:183194) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
[(2R,5S,6R)-3,5-dihydroxy-2-[(E,2S,3R)-3-hydroxy-2-[[(Z)-2-hydroxytetracos-15-enoyl]amino]octadec-4-enoxy]-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate
Manual XrefsDatabases
24823258ChemSpider
LMSP06020016LIPID MAPS