CHEBI:186707 - PI(17:2(9Z,12Z)/14:1(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(17:2(9Z,12Z)/14:1(9Z))
ChEBI ID CHEBI:186707
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C40H71O13P
Net Charge 0
Average Mass 790.969
Monoisotopic Mass 790.46323
InChI InChI=1S/C40H71O13P/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-33(41)50-30-32(52-34(42)29-27-25-23-21-18-14-12-10-8-6-4-2)31-51-54(48,49)53-40-38(46)36(44)35(43)37(45)39(40)47/h9-12,15-16,32,35-40,43-47H,3-8,13-14,17-31H2,1-2H3,(H,48,49)/b11-9-,12-10-,16-15-/t32-,35?,36-,37?,38?,39?,40?/m1/s1
InChIKey AVRQLZGTQZROFD-ZZZADKIXSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(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(17:2(9Z,12Z)/14:1(9Z)) (CHEBI:186707) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (9Z,12Z)-heptadeca-9,12-dienoate
Manual Xref Database
LMGP06010249 LIPID MAPS
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