EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185099 - PE-Cer(d18:0(17Me)/16:0(3OH,15Me))

ChEBI IDCHEBI:185099
ChEBI NamePE-Cer(d18:0(17Me)/16:0(3OH,15Me))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H79N2O7P
Net Charge0
Average Mass707.031
Monoisotopic Mass706.56249
SMILESCC(C)CCCCCCCCCCCCCC(O)C(COP(=O)(O)OCCN)NC(=O)CC(O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C38H79N2O7P/c1-33(2)25-21-17-13-9-6-5-7-12-16-20-24-28-37(42)36(32-47-48(44,45)46-30-29-39)40-38(43)31-35(41)27-23-19-15-11-8-10-14-18-22-26-34(3)4/h33-37,41-42H,5-32,39H2,1-4H3,(H,40,43)(H,44,45)
InChIKeyBSSJRTVTWGQSMK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PE-Cer(d18:0(17Me)/16:0(3OH,15Me)) (CHEBI:185099) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
2-aminoethyl [3-hydroxy-2-[(3-hydroxy-15-methylhexadecanoyl)amino]-17-methyloctadecyl] hydrogen phosphate
Manual XrefsDatabases
113386104ChemSpider
LMSP03020095LIPID MAPS