CHEBI:145842 - PC(P-18:1(9Z)/22:5(4Z,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 PC(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:145842
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C48H84NO7P
Net Charge 0
Average Mass 818.174
Monoisotopic Mass 817.59854
InChI InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,35,37,40,43,47H,6-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1
InChIKey HJVOAEKCVMNQEX-HBPNUINMSA-N
SMILES C([C@@](CO/C=C\CCCCCC/C=C\CCCCCCCC)(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C
ChEBI Ontology
Outgoing PC(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:145842) is a PC(P-18:1_22:5) (CHEBI:145841)
Synonym Source
PC P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z) SUBMITTER
Manual Xref Database
HMDB0011326 HMDB accession
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