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Ins-1-P-Cer(d18:0/18:0)(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_72548

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

Term info

Label

Ins-1-P-Cer(d18:0/18:0)(1-)

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

3_STAR

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

charge

-1

formula

C42H83NO11P

has obo namespace

chebi_ontology

has related synonym

IPC-1 (C18), IPC-A 18:0/18:0, inositol-P-ceramide-A (C18), inositol-P-ceramide-A (18:0/18:0), IPC-A (C18)

id

CHEBI:72548

inchi

InChI=1S/C42H84NO11P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(45)43-34(35(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)33-53-55(51,52)54-42-40(49)38(47)37(46)39(48)41(42)50/h34-35,37-42,44,46-50H,3-33H2,1-2H3,(H,43,45)(H,51,52)/p-1/t34-,35+,37-,38-,39+,40+,41+,42-/m0/s1

inchikey

JHXKGBXSGFIMDN-SUCBYGEVSA-M

mass

809.08280

monoisotopicmass

808.57092

smiles

CCCCCCCCCCCCCCCCCC(=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