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CHEBI:185417 - PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))

ChEBI IDCHEBI:185417
ChEBI NamePC(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H96NO8P
Net Charge0
Average Mass918.335
Monoisotopic Mass917.68736
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,34,36,40,42,52H,6-14,16,18-19,24-27,29,31-33,35,37-39,41,43-51H2,1-5H3/b17-15-,22-20-,23-21-,30-28-,36-34-,42-40-/t52-/m1/s1
InChIKeyYPSRXBOUINOZKN-BFJWCGADSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) (CHEBI:185417) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0008684HMDB
24767345ChemSpider