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CHEBI:193022 - PE-Cer(d16:2(4E,6E)/16:0)

ChEBI IDCHEBI:193022
ChEBI NamePE-Cer(d16:2(4E,6E)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H67N2O6P
Net Charge0
Average Mass630.892
Monoisotopic Mass630.47367
SMILESCCCCCCCCC/C=C/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H67N2O6P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-34(38)36-32(31-42-43(39,40)41-30-29-35)33(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h21,23,25,27,32-33,37H,3-20,22,24,26,28-31,35H2,1-2H3,(H,36,38)(H,39,40)/b23-21+,27-25+/t32-,33+/m0/s1
InChIKeyUKIHGZXTIPYHTA-BCCQZUPASA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) serum (BTO:0001239) MetaboLights (MTBLS3943) Strain: Sprague Dawley [EFO:0001352]
ChEBI Ontology
Outgoing Relation(s)
PE-Cer(d16:2(4E,6E)/16:0) (CHEBI:193022) is a phosphoethanolamine (CHEBI:36711)
IUPAC Name 
2-aminoethyl [(2S,3R,4E,6E)-2-(hexadecanoylamino)-3-hydroxyhexadeca-4,6-dienyl] hydrogen phosphate
Manual XrefsDatabases
LMSP03020047LIPID MAPS
113381596ChemSpider