CHEBI:186223 - PI(19:0/17:0)

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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(19:0/17:0)
ChEBI ID CHEBI:186223
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H87O13P
Net Charge 0
Average Mass 867.152
Monoisotopic Mass 866.58843
InChI InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKey VWIICDLMPOBSLM-KICCZPNWSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(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(19:0/17:0) (CHEBI:186223) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-2-heptadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] nonadecanoate
Manual Xref Database
LMGP06010427 LIPID MAPS
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