CHEBI:186300 - OKODA-PI

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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 OKODA-PI
ChEBI ID CHEBI:186300
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H67O15P
Net Charge 0
Average Mass 806.924
Monoisotopic Mass 806.42176
InChI InChI=1S/C39H67O15P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-32(42)51-28-31(53-33(43)26-21-18-15-16-19-23-30(41)24-22-27-40)29-52-55(49,50)54-39-37(47)35(45)34(44)36(46)38(39)48/h9-10,22,24,27,31,34-39,44-48H,2-8,11-21,23,25-26,28-29H2,1H3,(H,49,50)/b10-9-,24-22+/t31-,34?,35-,36?,37?,38?,39?/m1/s1
InChIKey RRBQZUDFMTXZPR-DIKVSTQTSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(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 OKODA-PI (CHEBI:186300) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-2-[(E)-9,12-dioxododec-10-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (Z)-octadec-9-enoate
Manual Xref Database
LMGP20050033 LIPID MAPS
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