OntologiesslmclassesCHEBI:84495   
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N-tetracosanoylsphinganine-1-phosphocholineImported
http://purl.obolibrary.org/obo/CHEBI_84495

A N-acylsphinganine-1-phosphocholine in which the acyl group specified is tetracosanoyl.

Defined bychebi
Also appears inmicro
Exact Synonyms
(2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl 2-(trimethylammonio)ethyl phosphate
Related Synonyms
N-(tetracosanoyl)-sphinganine-1-phosphocholine
SM(d18:0/24:0)
Sphingomyelin (d18:0/24:0)
class Information
charge

0

formula

C47H97N2O6P

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C47H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h45-46,50H,6-44H2,1-5H3,(H-,48,51,52,53)/t45-,46+/m0/s1

inchikey

SMJLGESYPKPRNU-CRCOQUFZSA-N

in_subset

3_STAR

mass

817.25660

monoisotopicmass

816.70843

smiles

CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC

class Relations