CHEBI:189909 - PE-Cer(d14:1(4E)/18:0(2OH))

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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(d14:1(4E)/18:0(2OH))
ChEBI ID CHEBI:189909
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H69N2O7P
Net Charge 0
Average Mass 648.907
Monoisotopic Mass 648.48424
InChI InChI=1S/C34H69N2O7P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-33(38)34(39)36-31(30-43-44(40,41)42-29-28-35)32(37)26-24-22-20-18-12-10-8-6-4-2/h24,26,31-33,37-38H,3-23,25,27-30,35H2,1-2H3,(H,36,39)(H,40,41)/b26-24+/t31-,32+,33?/m0/s1
InChIKey MMDJJZHVBVYAGY-BPSIFJBESA-N
SMILES P(OC[C@H](NC(=O)C(O)CCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing PE-Cer(d14:1(4E)/18:0(2OH)) (CHEBI:189909) is a ceramide phosphoethanolamine (CHEBI:73204)
IUPAC Name
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(2-hydroxyoctadecanoylamino)tetradec-4-enyl] hydrogen phosphate
Manual Xrefs Databases
113381608 ChemSpider
LMSP03020059 LIPID MAPS
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