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CHEBI:65164 - Ins-1-P-Cer(t18:0/2-OH-26:0)(1−)

ChEBI IDCHEBI:65164
ChEBI NameIns-1-P-Cer(t18:0/2-OH-26:0)(1−)
Stars
ASCII NameIns-1-P-Cer(t18:0/2-OH-26:0)(1-)
DefinitionAn inositol phosphophytoceramide(1−) having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3.
Last Modified12 July 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC50H99NO13P
Net Charge-1
Average Mass953.310
Monoisotopic Mass952.68595
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[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/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/p-1/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1
InChIKeyPMXMKGYRVPAIJJ-CDDTYIOUSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t18:0/2-OH-26:0)(1−) (CHEBI:65164) is a inositol phosphophytoceramide(1−) (CHEBI:64993)
Ins-1-P-Cer(t18:0/2-OH-26:0)(1−) (CHEBI:65164) is conjugate base of Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004)
Incoming Relation(s)
Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004) is conjugate acid of Ins-1-P-Cer(t18:0/2-OH-26:0)(1−) (CHEBI:65164)
IUPAC Name 
(2S,3S,4S)-3,4-dihydroxy-2-{[(2S)-2-hydroxyhexacosanoyl]amino}octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate