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CHEBI:65094 - Ins-1-P-Cer(d18:0/2-OH-26:0)(1−)

ChEBI IDCHEBI:65094
ChEBI NameIns-1-P-Cer(d18:0/2-OH-26:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d18:0/2-OH-26:0)(1-)
DefinitionAn anionic ceramide phosphoinositol compound having a hexacosanoyl group attached to the ceramide nitrogen, no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid. Major species at pH 7.3.
Last Modified6 July 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC50H99NO12P
Net Charge-1
Average Mass937.311
Monoisotopic Mass936.69104
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)CCCCCCCCCCCCCCC
InChIInChI=1S/C50H100NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(53)50(59)51-41(42(52)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)40-62-64(60,61)63-49-47(57)45(55)44(54)46(56)48(49)58/h41-49,52-58H,3-40H2,1-2H3,(H,51,59)(H,60,61)/p-1/t41-,42+,43-,44-,45-,46+,47+,48+,49-/m0/s1
InChIKeyXYCNASUKVOVNSX-JZZCRTNLSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d18:0/2-OH-26:0)(1−) (CHEBI:65094) is a inositol phosphodihydroceramide(1−) (CHEBI:64941)
Ins-1-P-Cer(d18:0/2-OH-26:0)(1−) (CHEBI:65094) is conjugate base of Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:60409)
Incoming Relation(s)
Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:60409) is conjugate acid of Ins-1-P-Cer(d18:0/2-OH-26:0)(1−) (CHEBI:65094)
IUPAC Name 
(2S,3R)-3-hydroxy-2-{[(2S)-2-hydroxyhexacosanoyl]amino}octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
UniProt Name  Source
Ins-1-P-Cer(d18:0/2-OH-26:0)UniProt