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CHEBI:65095 - Ins-1-P-Cer(d18:0/2-OH-24:0)(1−)

ChEBI IDCHEBI:65095
ChEBI NameIns-1-P-Cer(d18:0/2-OH-24:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d18:0/2-OH-24:0)(1-)
DefinitionAn anionic ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen, no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid. Major species at pH 7.3.
Last Modified2 July 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC48H95NO12P
Net Charge-1
Average Mass909.257
Monoisotopic Mass908.65974
SMILESCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=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
InChIInChI=1S/C48H96NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(51)48(57)49-39(40(50)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-60-62(58,59)61-47-45(55)43(53)42(52)44(54)46(47)56/h39-47,50-56H,3-38H2,1-2H3,(H,49,57)(H,58,59)/p-1/t39-,40+,41-,42-,43-,44+,45+,46+,47-/m0/s1
InChIKeyVNKKSGSHXRHPDZ-LIMFHIGASA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d18:0/2-OH-24:0)(1−) (CHEBI:65095) is a inositol phosphodihydroceramide(1−) (CHEBI:64941)
Ins-1-P-Cer(d18:0/2-OH-24:0)(1−) (CHEBI:65095) is conjugate base of Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60406)
Incoming Relation(s)
Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60406) is conjugate acid of Ins-1-P-Cer(d18:0/2-OH-24:0)(1−) (CHEBI:65095)
IUPAC Name 
(2S,3R)-3-hydroxy-2-{[(2S)-2-hydroxytetracosanoyl]amino}octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate