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Ins-1-P-Cer(d18:0/22:0)(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_72550

An inositol phosphodihydroceramide(1-) in which the N-acyl group is specified as docosanoyl; major species at pH 7.3.

Term info

Label

Ins-1-P-Cer(d18:0/22:0)(1-)

Synonyms
  • (2S,3R)-2-(docosanoylamino)-3-hydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Subsets

3_STAR

IUPAC NAME
(2S,3R)-2-(docosanoylamino)-3-hydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate [ IUPAC ]

charge

-1

formula

C46H91NO11P

has obo namespace

chebi_ontology

has related synonym

inositol-P-ceramide-A (18:0/22:0), IPC-A (C22), IPC-A 18:0/22:0, inositol-P-ceramide-A (C22), IPC-1 (C22)

id

CHEBI:72550

inchi

InChI=1S/C46H92NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(49)47-38(39(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)37-57-59(55,56)58-46-44(53)42(51)41(50)43(52)45(46)54/h38-39,41-46,48,50-54H,3-37H2,1-2H3,(H,47,49)(H,55,56)/p-1/t38-,39+,41-,42-,43+,44+,45+,46-/m0/s1

inchikey

XKDQGRLSOXNYKK-QNNODMADSA-M

mass

865.18920

monoisotopicmass

864.63352

smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC