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CHEBI:75301 - 1-palmitoyl-2-hexanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:75301
ChEBI Name1-palmitoyl-2-hexanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoyl-2-hexanoyl-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine where the acyl groups at positions 1 and 2 are palmitoyl and hexanoyl respectively.
Last Modified4 September 2015
Submitterlaimo
DownloadsMolfile
FormulaC30H60NO8P
Net Charge0
Average Mass593.783
Monoisotopic Mass593.40565
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC
InChIInChI=1S/C30H60NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-22-29(32)36-26-28(39-30(33)23-20-9-7-2)27-38-40(34,35)37-25-24-31(3,4)5/h28H,6-27H2,1-5H3/t28-/m1/s1
InChIKeyRBJYEKYJPBLOJX-MUUNZHRXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:75301) has functional parent 1-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72998)
1-palmitoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:75301) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
1-palmitoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:75301) is a hexanoate ester (CHEBI:87656)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-(hexanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
1-palmitoyl-2-caproyl-sn-glycero-3-phosphocholineSUBMITTER
1-hexadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholineLIPID MAPS
1-hexadecanoyl-2-hexanoyl-sn-phosphatidylcholineSUBMITTER
Palm-C6PCChEBI
1-O-hexadecanoyl-2-O-hexanoyl-sn-glycero-3-phosphocholineChEBI
PC(16:0/6:0)LIPID MAPS
UniProt Name  Source
1-hexadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010674LIPID MAPS
Registry NumbersSources
Reaxys:4047888Reaxys