Terminology Service for NFDI4Health
JSON

N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_120617

A sphingomyelin 34:1 obtained by formal condensation of the carboxy group of heptadecanoic acid with the amino group of 15-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.

Term info

Label

N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine

Synonyms
  • (2S,3R,4E)-2-(heptadecanoylamino)-3-hydroxy-15-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,3R,4E)-2-(heptadecanoylamino)-3-hydroxy-15-methylhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C39H79N2O6P

has obo namespace

chebi_ontology

has related synonym

SM(d17:1;2/17:0), SM 34:1;2, N-heptadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine

id

CHEBI:120617

inchi

InChI=1S/C39H79N2O6P/c1-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-39(43)40-37(35-47-48(44,45)46-34-33-41(4,5)6)38(42)31-28-25-22-19-17-18-21-24-27-30-36(2)3/h28,31,36-38,42H,7-27,29-30,32-35H2,1-6H3,(H-,40,43,44,45)/b31-28+/t37-,38+/m0/s1

inchikey

LFOVKKHRPZRMKL-BZWWISLQSA-N

mass

703.030

monoisotopicmass

702.56758

smiles

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