Terminology Service for NFDI4Health
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N-heptadecanoylsphingosine-1-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_84488

A sphingomyelin d18:1 in which the acyl group specified is heptadecanoyl.

Term info

Label

N-heptadecanoylsphingosine-1-phosphocholine

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

3_STAR

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

charge

0

formula

C40H81N2O6P

has obo namespace

chebi_ontology

has related synonym

SM(d18:1/17:0), N-(heptadecanoyl)-sphing-4-enine-1-phosphocholine

id

CHEBI:84488

inchi

InChI=1S/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38-,39+/m0/s1

inchikey

YMQZQHIESOAPQH-JXGHDCMNSA-N

mass

717.05470

monoisotopicmass

716.58323

smiles

CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC