CHEBI:186059 - PI(22:1(11Z)/18:3(9Z,12Z,15Z))

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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(22:1(11Z)/18:3(9Z,12Z,15Z))
ChEBI ID CHEBI:186059
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C49H87O13P
Net Charge 0
Average Mass 915.196
Monoisotopic Mass 914.58843
InChI InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20-21,23,41,44-49,52-56H,3-5,7,9-11,13,15-17,19,22,24-40H2,1-2H3,(H,57,58)/b8-6-,14-12-,21-20-,23-18-/t41-,44?,45-,46?,47?,48?,49?/m1/s1
InChIKey VSBPNVJMJSHKRH-LPVCVWSRSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(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(22:1(11Z)/18:3(9Z,12Z,15Z)) (CHEBI:186059) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-docos-11-enoate
Manual Xref Database
LMGP06010709 LIPID MAPS
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