CHEBI:189034 - PI(12:0/14:1(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(12:0/14:1(9Z))
ChEBI ID CHEBI:189034
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H65O13P
Net Charge 0
Average Mass 724.866
Monoisotopic Mass 724.41628
InChI InChI=1S/C35H65O13P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(37)47-27(25-45-28(36)23-21-19-17-15-12-10-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)42/h9,11,27,30-35,38-42H,3-8,10,12-26H2,1-2H3,(H,43,44)/b11-9-/t27-,30?,31-,32?,33?,34?,35?/m1/s1
InChIKey NPNBTLIOMUVOAF-KXNRIVPKSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC)(O)=O
Metabolite of Species Details
Anopheles sinensis (NCBI:txid74873) Found in Whole Organism (THESAURUS.OWL#C13413).
ChEBI Ontology
Outgoing PI(12:0/14:1(9Z)) (CHEBI:189034) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate
Manual Xref Database
LMGP06010014 LIPID MAPS
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