CHEBI:137121 - PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

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ChEBI Name PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
ChEBI ID CHEBI:137121
ChEBI ASCII Name PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C50H82NO8P
Net Charge 0
Average Mass 856.164
Monoisotopic Mass 855.57781
InChI InChI=1S/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,9,11-13,15,17-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
InChIKey NBMCSOJQWVAWGA-TWAKRUQDSA-N
SMILES C([C@@](COC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C
Roles Classification
Biological Role(s): Papio hamadryas metabolite
Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
(via phosphatidylcholine (20:3/22:6) )
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ChEBI Ontology
Outgoing PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:137121) is a phosphatidylcholine (20:3/22:6) (CHEBI:136100)
Manual Xrefs Databases
24767047 ChemSpider
HMDB0008387 HMDB
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Last Modified
24 May 2017