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CHEBI:65168 - Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−)

ChEBI IDCHEBI:65168
ChEBI NameIns-1-P-Cer(t18:0/2,3-OH-26:0)(1−)
Stars
ASCII NameIns-1-P-Cer(t18:0/2,3-OH-26:0)(1-)
DefinitionAn inositol phosphophytoceramide(1−) having a hexacosanoyl 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.
Last Modified30 September 2020
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC50H99NO14P
Net Charge-1
Average Mass969.309
Monoisotopic Mass968.68087
SMILESCCCCCCCCCCCCCCCCCCCCCCC[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/C50H100NO14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(53)43(55)50(61)51-39(38-64-66(62,63)65-49-47(59)45(57)44(56)46(58)48(49)60)42(54)40(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-49,52-60H,3-38H2,1-2H3,(H,51,61)(H,62,63)/p-1/t39-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1
InChIKeyBUJDESZERWRJFC-QMPYUXPBSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−) (CHEBI:65168) is a inositol phosphophytoceramide(1−) (CHEBI:64993)
Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−) (CHEBI:65168) is conjugate base of Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:60415)
Incoming Relation(s)
Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:60415) is conjugate acid of Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−) (CHEBI:65168)
IUPAC Name 
(2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxyhexacosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate