Terminology Service for NFDI4Health
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N-(octadecanoyl)hexadecasphingosine-1-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_136273

A sphingomyelin 34:1 obtained by formal condensation of the carboxy group of octadecanoic acid with the amino group of hexadecasphingosine-1-phosphocholine.

Term info

Label

N-(octadecanoyl)hexadecasphingosine-1-phosphocholine

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

3_STAR

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

charge

0

formula

C39H79N2O6P

has obo namespace

chebi_ontology

has related synonym

sphingomyelin d16:1/18:0, N-(octadecanoyl)hexadecasphing-4-enine-1-phosphocholine, SM(d16:1/18:0)

id

CHEBI:136273

inchi

InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-39(43)40-37(36-47-48(44,45)46-35-34-41(3,4)5)38(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1

inchikey

OQCPQFVKIYWGRP-GWQJGLRPSA-N

mass

703.030

monoisotopicmass

702.56758

smiles

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