CHEBI:186410 - PE-Cer(d14:2(4E,6E)/20:1(11Z))

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ChEBI Name PE-Cer(d14:2(4E,6E)/20:1(11Z))
ChEBI ID CHEBI:186410
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H69N2O6P
Net Charge 0
Average Mass 656.930
Monoisotopic Mass 656.48932
InChI InChI=1S/C36H69N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-36(40)38-34(33-44-45(41,42)43-32-31-37)35(39)29-27-25-23-21-12-10-8-6-4-2/h15-16,23,25,27,29,34-35,39H,3-14,17-22,24,26,28,30-33,37H2,1-2H3,(H,38,40)(H,41,42)/b16-15-,25-23+,29-27+/t34-,35+/m0/s1
InChIKey FPXGVDNURGUQHJ-RHGZFCBMSA-N
SMILES P(OC[C@H](NC(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@H](O)\C=C\C=C\CCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PE-Cer(d14:2(4E,6E)/20:1(11Z)) (CHEBI:186410) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name
2-aminoethyl [(2S,3R,4E,6E)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]tetradeca-4,6-dienyl] hydrogen phosphate
Manual Xrefs Databases
113381584 ChemSpider
LMSP03020033 LIPID MAPS
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