CHEBI:184207 - PE-Cer(d15:1(4E)/22:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PE-Cer(d15:1(4E)/22:0)
ChEBI ID CHEBI:184207
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H79N2O6P
Net Charge 0
Average Mass 703.043
Monoisotopic Mass 702.56758
InChI InChI=1S/C39H79N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-39(43)41-37(36-47-48(44,45)46-35-34-40)38(42)32-30-28-26-24-14-12-10-8-6-4-2/h30,32,37-38,42H,3-29,31,33-36,40H2,1-2H3,(H,41,43)(H,44,45)/b32-30+/t37-,38+/m0/s1
InChIKey PUNOWDWXDFVUSY-GWQJGLRPSA-N
SMILES P(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). See: MetaboLights Study
ChEBI Ontology
Outgoing PE-Cer(d15:1(4E)/22:0) (CHEBI:184207) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name
2-aminoethyl [(E,2S,3R)-2-(docosanoylamino)-3-hydroxypentadec-4-enyl] hydrogen phosphate
Manual Xrefs Databases
113381568 ChemSpider
LMSP03020017 LIPID MAPS
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