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N-docosanoyl-14-methylhexadecasphinganine-1-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_124992

A sphingomyelin obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 14-methylhexadecasphinganine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.

Term info

Label

N-docosanoyl-14-methylhexadecasphinganine-1-phosphocholine

Synonyms
  • (2S,3R)-2-(docosanoylamino)-3-hydroxy-14-methylhexadecyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,3R)-2-(docosanoylamino)-3-hydroxy-14-methylhexadecyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C44H91N2O6P

has obo namespace

chebi_ontology

has related synonym

SM(d17:0;3/22:0), N-docosanoyl-14-methylhexadecadihydrosphingosine-1-phosphocholine, SM 39:0;2

id

CHEBI:124992

inchi

InChI=1S/C44H91N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-44(48)45-42(40-52-53(49,50)51-39-38-46(4,5)6)43(47)36-33-30-27-25-24-26-29-32-35-41(3)8-2/h41-43,47H,7-40H2,1-6H3,(H-,45,48,49,50)/t41?,42-,43+/m0/s1

inchikey

MBRJJFOQKYCVGM-IEZDNMIOSA-N

mass

775.179

monoisotopicmass

774.66148

smiles

O(P(OCC[N+](C)(C)C)(=O)[O-])C[C@@H]([C@@H](CCCCCCCCCCC(CC)C)O)NC(CCCCCCCCCCCCCCCCCCCCC)=O