CHEBI:188088 - PI-Cer(t20:0/26:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PI-Cer(t20:0/26:0)
ChEBI ID CHEBI:188088
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H104NO12P
Net Charge 0
Average Mass 966.373
Monoisotopic Mass 965.72961
InChI InChI=1S/C52H104NO12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-45(55)53-43(42-64-66(62,63)65-52-50(60)48(58)47(57)49(59)51(52)61)46(56)44(54)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h43-44,46-52,54,56-61H,3-42H2,1-2H3,(H,53,55)(H,62,63)/t43-,44+,46-,47?,48+,49?,50?,51?,52?/m0/s1
InChIKey MPWLRUHDXQRDFI-NAEBUGJASA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing PI-Cer(t20:0/26:0) (CHEBI:188088) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name
[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxyicosyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
Manual Xref Database
LMSP03030023 LIPID MAPS
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