CHEBI:187829 - PI(12:0/15:1(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(12:0/15:1(9Z))
ChEBI ID CHEBI:187829
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H67O13P
Net Charge 0
Average Mass 738.893
Monoisotopic Mass 738.43193
InChI InChI=1S/C36H67O13P/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-30(38)48-28(26-46-29(37)24-22-20-18-16-12-10-8-6-4-2)27-47-50(44,45)49-36-34(42)32(40)31(39)33(41)35(36)43/h11,13,28,31-36,39-43H,3-10,12,14-27H2,1-2H3,(H,44,45)/b13-11-/t28-,31?,32-,33?,34?,35?,36?/m1/s1
InChIKey RSJALIKBVQFDSK-IWPBYACXSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCCCCCC)(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(12:0/15:1(9Z)) (CHEBI:187829) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
Manual Xref Database
LMGP06010016 LIPID MAPS
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