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CHEBI:65162 - Ins-1-P-Cer(t18:0/2-OH-24:0)(1−)

ChEBI IDCHEBI:65162
ChEBI NameIns-1-P-Cer(t18:0/2-OH-24:0)(1−)
Stars
ASCII NameIns-1-P-Cer(t18:0/2-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 of the very-long-chain fatty acid.
Last Modified12 July 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC48H95NO13P
Net Charge-1
Average Mass925.256
Monoisotopic Mass924.65465
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)[C@@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C48H96NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(51)48(58)49-38(37-61-63(59,60)62-47-45(56)43(54)42(53)44(55)46(47)57)41(52)39(50)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-47,50-57H,3-37H2,1-2H3,(H,49,58)(H,59,60)/p-1/t38-,39-,40-,41-,42-,43-,44+,45+,46+,47-/m0/s1
InChIKeyWHEIQLYBLPWARO-KKGXJRIFSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t18:0/2-OH-24:0)(1−) (CHEBI:65162) is a inositol phosphophytoceramide(1−) (CHEBI:64993)
Ins-1-P-Cer(t18:0/2-OH-24:0)(1−) (CHEBI:65162) is conjugate base of Ins-1-P-Cer(t18:0/2-OH-24:0) (CHEBI:60413)
Incoming Relation(s)
Ins-1-P-Cer(t18:0/2-OH-24:0) (CHEBI:60413) is conjugate acid of Ins-1-P-Cer(t18:0/2-OH-24:0)(1−) (CHEBI:65162)
IUPAC Name 
(2S,3S,4S)-3,4-dihydroxy-2-{[(2S)-2-hydroxytetracosanoyl]amino}octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate