OntologieschebiclassesCHEBI:117048   
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N-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine
http://purl.obolibrary.org/obo/CHEBI_117048

A sphingomyelin obtained by formal condensation of the carboxy group of hexacosanoic acid with the amino group of 14-methylhexadecasphinganine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans.

Also appears inmicroslm
Exact Synonyms
(2S,3R)-2-(hexacosanoylamino)-3-hydroxy-14-methylhexadecyl 2-(trimethylazaniumyl)ethyl phosphate
Related Synonyms
N-hexacosanoyl-14-methylhexadecadihydrosphingosine-1-phosphocholine
SM (d17:0;3/26:0)
SM 43:0;3
class Information
charge

0

formula

C48H99N2O6P

has_dbxref

PMID:23894595

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C48H99N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-35-38-41-48(52)49-46(44-56-57(53,54)55-43-42-50(4,5)6)47(51)40-37-34-31-29-28-30-33-36-39-45(3)8-2/h45-47,51H,7-44H2,1-6H3,(H-,49,52,53,54)/t45?,46-,47+/m0/s1

inchikey

URKGNSIZAASXFK-MKISUTETSA-N

in_subset

3_STAR

mass

831.285

monoisotopicmass

830.72408

smiles

C(CCCCCC(CC)C)CCCC[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]

class Relations