CHEBI:183145 - PI(19:0/22:4(7Z,10Z,13Z,16Z))

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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(19:0/22:4(7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:183145
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C50H89O13P
Net Charge 0
Average Mass 929.223
Monoisotopic Mass 928.60408
InChI InChI=1S/C50H89O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(52)62-42(41-61-64(58,59)63-50-48(56)46(54)45(53)47(55)49(50)57)40-60-43(51)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,27,29,42,45-50,53-57H,3-10,12,14-16,18,20-21,24-26,28,30-41H2,1-2H3,(H,58,59)/b13-11-,19-17-,23-22-,29-27-/t42-,45?,46-,47?,48?,49?,50?/m1/s1
InChIKey BRLBRAMTZAOXIK-QSSWAUMGSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(O)=O
Metabolite of Species Details
Trypanosoma brucei (NCBI:txid5691) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing PI(19:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:183145) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-nonadecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xref Database
LMGP06010446 LIPID MAPS
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