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CHEBI:65166 - Ins-1-P-Cer(t18:0/2,3-OH-24:0)(1−)

ChEBI IDCHEBI:65166
ChEBI NameIns-1-P-Cer(t18:0/2,3-OH-24:0)(1−)
Stars
ASCII NameIns-1-P-Cer(t18:0/2,3-OH-24:0)(1-)
DefinitionAn inositol phosphophytoceramide(1−) having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 and C-3 of the very-long-chain fatty acid. Major species at pH 7.3.
Last Modified13 July 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC48H95NO14P
Net Charge-1
Average Mass941.255
Monoisotopic Mass940.64957
SMILESCCCCCCCCCCCCCCCCCCCCC[C@@H](O)[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)[C@@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C48H96NO14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(51)41(53)48(59)49-37(36-62-64(60,61)63-47-45(57)43(55)42(54)44(56)46(47)58)40(52)38(50)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-47,50-58H,3-36H2,1-2H3,(H,49,59)(H,60,61)/p-1/t37-,38-,39+,40-,41-,42-,43-,44+,45+,46+,47-/m0/s1
InChIKeyIFSVZMZUQHMLDK-AFKJTDKASA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t18:0/2,3-OH-24:0)(1−) (CHEBI:65166) is a inositol phosphophytoceramide(1−) (CHEBI:64993)
Ins-1-P-Cer(t18:0/2,3-OH-24:0)(1−) (CHEBI:65166) is conjugate base of Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60414)
Incoming Relation(s)
Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60414) is conjugate acid of Ins-1-P-Cer(t18:0/2,3-OH-24:0)(1−) (CHEBI:65166)
IUPAC Name 
(2S,3S,4S)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate