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Ins-1-P-Cer(d18:0/20:0)(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_72549

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

Term info

Label

Ins-1-P-Cer(d18:0/20:0)(1-)

Synonyms
  • (2S,3R)-3-hydroxy-2-(icosanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Subsets

3_STAR

IUPAC NAME
(2S,3R)-3-hydroxy-2-(icosanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate [ IUPAC ]

charge

-1

formula

C44H87NO11P

has obo namespace

chebi_ontology

has related synonym

inositol-P-ceramide-A (18:0/20:0), IPC-1 (C20), IPC-A 18:0/20:0, inositol-P-ceramide-A (C20), IPC-A (C20)

id

CHEBI:72549

inchi

InChI=1S/C44H88NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(47)45-36(37(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)35-55-57(53,54)56-44-42(51)40(49)39(48)41(50)43(44)52/h36-37,39-44,46,48-52H,3-35H2,1-2H3,(H,45,47)(H,53,54)/p-1/t36-,37+,39-,40-,41+,42+,43+,44-/m0/s1

inchikey

MGOSIQPUTOHGQS-MJFIMMJPSA-M

mass

837.13600

monoisotopicmass

836.60222

smiles

CCCCCCCCCCCCCCCCCCCC(=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