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CHEBI:188079 - PI-Cer(t20:0/26:0(2OH))

ChEBI IDCHEBI:188079
ChEBI NamePI-Cer(t20:0/26:0(2OH))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H104NO13P
Net Charge0
Average Mass982.372
Monoisotopic Mass981.72453
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(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)CCCCCCCCCCCCCCCC
InChIInChI=1S/C52H104NO13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(55)52(62)53-42(41-65-67(63,64)66-51-49(60)47(58)46(57)48(59)50(51)61)45(56)43(54)39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h42-51,54-61H,3-41H2,1-2H3,(H,53,62)(H,63,64)/t42-,43+,44?,45-,46?,47+,48?,49?,50?,51?/m0/s1
InChIKeyVFFDKDUQCPRSHU-CPRGJCQKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PI-Cer(t20:0/26:0(2OH)) (CHEBI:188079) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(2S,3S,4R)-3,4-dihydroxy-2-(2-hydroxyhexacosanoylamino)icosyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
Manual XrefsDatabases
LMSP03030047LIPID MAPS