CHEBI:186429 - PI(20:0/18:1(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(20:0/18:1(9Z))
ChEBI ID CHEBI:186429
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H89O13P
Net Charge 0
Average Mass 893.190
Monoisotopic Mass 892.60408
InChI InChI=1S/C47H89O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,39,42-47,50-54H,3-17,19-20,22-38H2,1-2H3,(H,55,56)/b21-18-/t39-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKey MXUCIOPAYBFEMR-HERWTJDTSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(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(20:0/18:1(9Z)) (CHEBI:186429) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] icosanoate
Manual Xref Database
LMGP06010923 LIPID MAPS
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