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CHEBI:86524 - N-(heneicosanoyl)-[(4E,6E)-tetradecasphingadienine]-1-phosphoethanolamine

ChEBI IDCHEBI:86524
ChEBI NameN-(heneicosanoyl)-[(4E,6E)-tetradecasphingadienine]-1-phosphoethanolamine
Stars
ASCII NameN-(heneicosanoyl)-[(4E,6E)-tetradecasphingadienine]-1-phosphoethanolamine
DefinitionA ceramide phosphoethanolamine (35:2) in which the specified spingoid base and acyl group specified are (4E,6E)-tetradecasphingadienine and heneicosanoyl respectively.
Last Modified16 July 2015
Submitternamrata
DownloadsMolfile
FormulaC37H73N2O6P
Net Charge0
Average Mass672.973
Monoisotopic Mass672.52062
SMILES[H][C@@](O)(/C=C/C=C/CCCCCCC)[C@]([H])(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H73N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-37(41)39-35(34-45-46(42,43)44-33-32-38)36(40)30-28-26-24-22-12-10-8-6-4-2/h24,26,28,30,35-36,40H,3-23,25,27,29,31-34,38H2,1-2H3,(H,39,41)(H,42,43)/b26-24+,30-28+/t35-,36+/m0/s1
InChIKeyLMERKYHEMVJYIK-UAQQTGBVSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-(heneicosanoyl)-[(4E,6E)-tetradecasphingadienine]-1-phosphoethanolamine (CHEBI:86524) has functional parent henicosanoic acid (CHEBI:39248)
N-(heneicosanoyl)-[(4E,6E)-tetradecasphingadienine]-1-phosphoethanolamine (CHEBI:86524) is a ceramide phosphoethanolamine (35:2) (CHEBI:86523)
IUPAC Name 
2-aminoethyl (2S,3R,4E,6E)-2-(henicosanoylamino)-3-hydroxytetradeca-4,6-dien-1-yl hydrogen phosphate
Synonym  Source
PE-Cer(d14:2(4E,6E)/21:0)LIPID MAPS
Manual XrefsDatabases
LMSP03020040LIPID MAPS