CHEBI:188310 - PI(12:0/17:2(9Z,12Z))

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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(12:0/17:2(9Z,12Z))
ChEBI ID CHEBI:188310
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H69O13P
Net Charge 0
Average Mass 764.931
Monoisotopic Mass 764.44758
InChI InChI=1S/C38H69O13P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(40)50-30(28-48-31(39)26-24-22-20-18-12-10-8-6-4-2)29-49-52(46,47)51-38-36(44)34(42)33(41)35(43)37(38)45/h9,11,14-15,30,33-38,41-45H,3-8,10,12-13,16-29H2,1-2H3,(H,46,47)/b11-9-,15-14-/t30-,33?,34-,35?,36?,37?,38?/m1/s1
InChIKey SOLDYOYSQMOETK-BVKNYPCISA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCC)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing PI(12:0/17:2(9Z,12Z)) (CHEBI:188310) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Manual Xref Database
LMGP06010020 LIPID MAPS
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