CHEBI:197368 - N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine

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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 N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
ChEBI ID CHEBI:197368
Definition This compound belongs to the class of organic compounds known as phosphoethanolamines.
Stars This entity has been manually annotated by a third party.
Submitter Noemi Tejera
Supplier Information
Download Molfile XML SDF
Formula C39H79N2O6P
Net Charge 0
Average Mass 703.043
Monoisotopic Mass 702.56758
InChI InChI=1S/C39H79N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-33-39(43)41-37(36-47-48(44,45)46-35-34-40)38(42)32-30-28-26-24-12-10-8-6-4-2/h30,32,37-38,42H,3-29,31,33-36,40H2,1-2H3,(H,41,43)(H,44,45)/b32-30+
InChIKey DAJDHSUNMLBGKS-NHQGMKOOSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCCN)C(/C=C/CCCCCCCCC)O
Metabolite of Species Details
Homo Sapiens (NCBI:txid9606) See: MetaboLights Study
Mus musculus (NCBITAXON:10090) See: MetaboLights Study
ChEBI Ontology
Outgoing N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine (CHEBI:197368) is a organic molecular entity (CHEBI:50860)
IUPAC Name
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(tricosanoylamino)tetradec-4-enyl] hydrogen phosphate
Synonyms Sources
PE-Cer(d14:1(4E)/23:0) SUBMITTER
PE-Cer(d14:1/23:0) SUBMITTER
Manual Xref Database
LMSP03020010 LIPID MAPS instance accession
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