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N-docosanoylsphingosine-1-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_74532

A sphingomyelin d18:1 in which the N-acyl group is specified as docosanoyl

Term info

Label

N-docosanoylsphingosine-1-phosphocholine

Synonyms
  • (2S,3R,4E)-2-(docosanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,3R,4E)-2-(docosanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C45H91N2O6P

has obo namespace

chebi_ontology

has related synonym

behenoyl sphingomyelin (d18:1/22:0), N-(docosanoyl)-sphing-4-enine-1-phosphocholine, SM(d18:1/22:0), behenoyl sphingomyelin, sphingomyelin (d18:1/22:0), C22 Sphingomyelin, N-(docosanoyl)-sphingosine-1-phosphocholine

id

CHEBI:74532

inchi

InChI=1S/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h36,38,43-44,48H,6-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b38-36+/t43-,44+/m0/s1

inchikey

FJJANLYCZUNFSE-TWKUQIQBSA-N

mass

787.189

monoisotopicmass

786.66148

smiles

C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C