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

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ChEBI Name 1-palmitoyl-2-hexanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:75301
ChEBI ASCII Name 1-palmitoyl-2-hexanoyl-sn-glycero-3-phosphocholine
Definition A 1,2-diacyl-sn-glycero-3-phosphocholine where the acyl groups at positions 1 and 2 are palmitoyl and hexanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C30H60NO8P
Net Charge 0
Average Mass 593.77310
Monoisotopic Mass 593.40565
InChI InChI=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
InChIKey RBJYEKYJPBLOJX-MUUNZHRXSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
ChEBI Ontology
Outgoing 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 Sources
1-hexadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine LIPID MAPS
1-hexadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine UniProt
1-hexadecanoyl-2-hexanoyl-sn-phosphatidylcholine SUBMITTER
1-O-hexadecanoyl-2-O-hexanoyl-sn-glycero-3-phosphocholine ChEBI
1-palmitoyl-2-caproyl-sn-glycero-3-phosphocholine SUBMITTER
Palm-C6PC ChEBI
PC(16:0/6:0) LIPID MAPS
Manual Xref Database
LMGP01010674 LIPID MAPS
View more database links
Registry Number Type Source
4047888 Reaxys Registry Number Reaxys
Last Modified
04 September 2015