CHEBI:185899 - PI(18:3(9Z,12Z,15Z)/21:0)

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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(18:3(9Z,12Z,15Z)/21:0)
ChEBI ID CHEBI:185899
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H87O13P
Net Charge 0
Average Mass 903.185
Monoisotopic Mass 902.58843
InChI InChI=1S/C48H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(50)60-40(39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55)38-58-41(49)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,22,40,43-48,51-55H,3-5,7,9-11,13,15-17,19-21,23-39H2,1-2H3,(H,56,57)/b8-6-,14-12-,22-18-/t40-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKey UTVFOTUHIFFWNZ-YUCFVKLISA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(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(18:3(9Z,12Z,15Z)/21:0) (CHEBI:185899) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] henicosanoate
Manual Xref Database
LMGP06010387 LIPID MAPS
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