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CHEBI:168913 - PC(18:1(9Z)/4:0)

ChEBI IDCHEBI:168913
ChEBI NamePC(18:1(9Z)/4:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H58NO8P
Net Charge0
Average Mass591.767
Monoisotopic Mass591.39000
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC
InChIInChI=1S/C30H58NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-29(32)36-26-28(39-30(33)22-7-2)27-38-40(34,35)37-25-24-31(3,4)5/h14-15,28H,6-13,16-27H2,1-5H3/b15-14-/t28-/m1/s1
InChIKeyANQYEWIKXQSASW-KYEYSNFOSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
PC(18:1(9Z)/4:0) (CHEBI:168913) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-butanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24822559ChemSpider
LMGP01010916LIPID MAPS