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CHEBI:86174 - 1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86174
ChEBI Name1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:1 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and (13Z)-docosenoyl respectively.
Last Modified25 June 2015
Submitternamrata
DownloadsMolfile
FormulaC46H90NO8P
Net Charge0
Average Mass816.199
Monoisotopic Mass815.64041
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,44H,6-19,22-43H2,1-5H3/b21-20-/t44-/m1/s1
InChIKeyBBIXKOPOMMUIOM-UIJSWADASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86174) has functional parent erucic acid (CHEBI:28792)
1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86174) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86174) is a phosphatidylcholine 38:1 (CHEBI:66860)
IUPAC Name 
(2R)-2-{[(13Z)-docos-13-enoyl]oxy}-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(16:0/22:1(13Z))LIPID MAPS
GPCho(16:0/22:1)HMDB
1-Palmitoyl-2-erucoyl-sn-glycero-3-phosphocholineHMDB
Phosphatidylcholine(16:0/22:1)HMDB
PC(16:0/22:1n9)HMDB
Phosphatidylcholine(16:0/22:1w9)HMDB
Manual XrefsDatabases
LMGP01010638LIPID MAPS
HMDB0007986HMDB