CHEBI:187451 - PI(O-18:0/19:1(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(O-18:0/19:1(9Z))
ChEBI ID CHEBI:187451
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H89O12P
Net Charge 0
Average Mass 865.180
Monoisotopic Mass 864.60917
InChI InChI=1S/C46H89O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(47)57-39(38-56-59(53,54)58-46-44(51)42(49)41(48)43(50)45(46)52)37-55-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,39,41-46,48-52H,3-18,20,22-38H2,1-2H3,(H,53,54)/b21-19-/t39-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKey WAQBBBWUGHHRNI-OWARAUFRSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(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(O-18:0/19:1(9Z)) (CHEBI:187451) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecoxypropan-2-yl] (Z)-nonadec-9-enoate
Manual Xref Database
LMGP06020034 LIPID MAPS
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