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CHEBI:65089 - Ins-1-P-Cer(d18:0/26:0)(1−)

ChEBI IDCHEBI:65089
ChEBI NameIns-1-P-Cer(d18:0/26:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d18:0/26:0)(1-)
DefinitionA anionic ceramide phosphoinositol compound having a hexacosanoyl group attached to the ceramide nitrogen and no hydroxylation at C-4 of the long-chain base or at C-2 or C-3 of the very-long-chain fatty acid. Major species at pH 7.3
Last Modified1 December 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC50H99NO11P
Net Charge-1
Average Mass921.312
Monoisotopic Mass920.69612
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C50H100NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(53)51-42(43(52)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)41-61-63(59,60)62-50-48(57)46(55)45(54)47(56)49(50)58/h42-43,45-50,52,54-58H,3-41H2,1-2H3,(H,51,53)(H,59,60)/p-1/t42-,43+,45-,46-,47+,48+,49+,50-/m0/s1
InChIKeyORSGBBKDFSRJSQ-PCIXLOPBSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d18:0/26:0)(1−) (CHEBI:65089) is a inositol phosphodihydroceramide(1−) (CHEBI:64941)
Ins-1-P-Cer(d18:0/26:0)(1−) (CHEBI:65089) is a Ins-1-P-Cer-A 44:0(1−) (CHEBI:75481)
Ins-1-P-Cer(d18:0/26:0)(1−) (CHEBI:65089) is conjugate base of Ins-1-P-Cer(d18:0/26:0) (CHEBI:60405)
Incoming Relation(s)
Ins-1-P-Cer(d18:0/26:0) (CHEBI:60405) is conjugate acid of Ins-1-P-Cer(d18:0/26:0)(1−) (CHEBI:65089)
IUPAC Name 
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
UniProt Name  Source
N-(hexacosanoyl)-sphinganine-1-(1D-myo-inositol)UniProt