CHEBI:196943 - PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:1(9Z))
ChEBI ID CHEBI:196943
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C50H83O13P
Net Charge 0
Average Mass 923.175
Monoisotopic Mass 922.55713
InChI InChI=1S/C50H83O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-43(51)60-40-42(41-61-64(58,59)63-50-48(56)46(54)45(53)47(55)49(50)57)62-44(52)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-24,26,28,32,34,42,45-50,53-57H,3-4,6,8-10,12,14-16,18,21,25,27,29-31,33,35-41H2,1-2H3,(H,58,59)/b7-5-,13-11-,19-17-,23-22-,24-20-,28-26-,34-32-/t42-,45?,46-,47?,48?,49?,50?/m1/s1
InChIKey FZTRVLMJAMJMNS-BOJVIKJYSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
ChEBI Ontology
Outgoing PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:1(9Z)) (CHEBI:196943) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual Xref Database
LMGP06010803 LIPID MAPS
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