CHEBI:186203 - PI(O-20:0/19:1(9Z))

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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(O-20:0/19:1(9Z))
ChEBI ID CHEBI:186203
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H93O12P
Net Charge 0
Average Mass 893.234
Monoisotopic Mass 892.64047
InChI InChI=1S/C48H93O12P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-57-39-41(40-58-61(55,56)60-48-46(53)44(51)43(50)45(52)47(48)54)59-42(49)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h20,23,41,43-48,50-54H,3-19,21-22,24-40H2,1-2H3,(H,55,56)/b23-20-/t41-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKey BIYPBWXPPASCPV-MCAGTLFWSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PI(O-20:0/19:1(9Z)) (CHEBI:186203) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-icosoxypropan-2-yl] (Z)-nonadec-9-enoate
Manual Xref Database
LMGP06020059 LIPID MAPS
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