CHEBI:186750 - PI(14:0/14:1(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(14:0/14:1(9Z))
ChEBI ID CHEBI:186750
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H69O13P
Net Charge 0
Average Mass 752.920
Monoisotopic Mass 752.44758
InChI InChI=1S/C37H69O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(38)47-27-29(49-31(39)26-24-22-20-18-16-14-12-10-8-6-4-2)28-48-51(45,46)50-37-35(43)33(41)32(40)34(42)36(37)44/h10,12,29,32-37,40-44H,3-9,11,13-28H2,1-2H3,(H,45,46)/b12-10-/t29-,32?,33-,34?,35?,36?,37?/m1/s1
InChIKey HYAQQBFACIUEMU-HESRPIQDSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCC)(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(14:0/14:1(9Z)) (CHEBI:186750) 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] tetradecanoate
Manual Xref Database
LMGP06010062 LIPID MAPS
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