CHEBI:186456 - PI(19:0/18:3(6Z,9Z,12Z))

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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(19:0/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:186456
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H83O13P
Net Charge 0
Average Mass 875.131
Monoisotopic Mass 874.55713
InChI InChI=1S/C46H83O13P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,38,41-46,49-53H,3-11,13,15-17,19,21-24,26,28-37H2,1-2H3,(H,54,55)/b14-12-,20-18-,27-25-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKey LAUOTKJDKXOUIB-BQWVCCQZSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(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(19:0/18:3(6Z,9Z,12Z)) (CHEBI:186456) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] nonadecanoate
Manual Xref Database
LMGP06010432 LIPID MAPS
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