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N-(heptadecanoyl)hexadecasphingosine-1-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_136272

A sphingomyelin 33:1 obtained by formal condensation of the carboxy group of heptadecanoic acid with the amino group of hexadecasphingosine-1-phosphocholine.

Term info

Label

N-(heptadecanoyl)hexadecasphingosine-1-phosphocholine

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

3_STAR

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

charge

0

formula

C38H77N2O6P

has obo namespace

chebi_ontology

has related synonym

sphingomyelin d16:1/17:0, SM(d16:1/17:0), N-(heptadecanoyl)hexadecasphing-4-enine-1-phosphocholine

id

CHEBI:136272

inchi

InChI=1S/C38H77N2O6P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-38(42)39-36(35-46-47(43,44)45-34-33-40(3,4)5)37(41)31-29-27-25-23-21-17-15-13-11-9-7-2/h29,31,36-37,41H,6-28,30,32-35H2,1-5H3,(H-,39,42,43,44)/b31-29+/t36-,37+/m0/s1

inchikey

CGMZWBZSOINWHL-YPDYIYJKSA-N

mass

689.003

monoisotopicmass

688.55193

smiles

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