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CHEBI:189567 - PI-Cer(t18:0/20:0(2OH))

ChEBI IDCHEBI:189567
ChEBI NamePI-Cer(t18:0/20:0(2OH))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H88NO13P
Net Charge0
Average Mass870.156
Monoisotopic Mass869.59933
SMILESCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C44H88NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36(47)44(54)45-34(33-57-59(55,56)58-43-41(52)39(50)38(49)40(51)42(43)53)37(48)35(46)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h34-43,46-53H,3-33H2,1-2H3,(H,45,54)(H,55,56)/t34-,35+,36?,37-,38?,39+,40?,41?,42?,43?/m0/s1
InChIKeyJDDPIZZUPYSPAY-ZSQVXSMXSA-N
Species of MetaboliteComponentSourceComments
Klebsiella pneumoniae (ncbitaxon:573) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4132)
ChEBI Ontology
Outgoing Relation(s)
PI-Cer(t18:0/20:0(2OH)) (CHEBI:189567) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(2S,3S,4R)-3,4-dihydroxy-2-(2-hydroxyicosanoylamino)octadecyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
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LMSP03030038LIPID MAPS