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CHEBI:139038 - N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1−)

ChEBI IDCHEBI:139038
ChEBI NameN-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1−)
Stars
ASCII NameN-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1-)
DefinitionAn inositol-1-phospho-N-(2-hydroxyhexacosanoyl)phytosphingoid(1−) in which the sphingoid base portion contains 18 carbons.
Last Modified25 January 2018
Submitterlaimo
DownloadsMolfile
FormulaC50H99NO13P
Net Charge-1
Average Mass953.310
Monoisotopic Mass952.68595
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(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-XBBDMFFLSA-M
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1−) (CHEBI:139038) is a inositol-1-phospho-N-(2-hydroxyhexacosanoyl)phytosphingoid(1−) (CHEBI:139039)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1−) (CHEBI:139038) is conjugate base of N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) (CHEBI:139522)
Incoming Relation(s)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) (CHEBI:139522) is conjugate acid of N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1−) (CHEBI:139038)
IUPAC Name 
(2S,3S,4S)-2-[(2-hydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
IPC t18:0/26:0(2OH)(1−)SUBMITTER
Ins-1-PCer(t18:0/2-OH-26:0)(1−)ChEBI
inositol-1-phospho-N-(2-hydroxyhexacosanoyl)phytosphingosine(1−)ChEBI
UniProt Name  Source
inositol-1-phospho-N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganineUniProt