LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))

Base Information

• Chemical Name: LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))
• CAS No.: 162440-04-2
• Molecular Formula: C28H48NO7P
• Molecular Weight: 543
• DSSTox Substance ID: DTXSID80471911
• Metabolomics Workbench ID: 15011
• Wikidata: Q27160572
• Mol file: 162440-04-2.mol

Synonyms:162440-04-2;LysoPC(20:5);LysoPC(20:5(5Z,8Z,11Z,14Z,17Z));1-Eicosapentaenoyl-sn-glycerol-3-phosphocholine;LPC(20:5);[(2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate;PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0);LPC(20:5/0:0);PC(20:5/0:0);1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphocholine;LPC 20:5;Lysophosphatidylcholine(20:5);LyPC(20:5);LysoPC(20:5/0:0);CHEBI:88686;DTXSID80471911;LysoPC(20:5n3/0:0);LysoPC(20:5w3/0:0);LyPC(20:5n3/0:0);LyPC(20:5w3/0:0);LMGP01050050;LyPC(20:5/0:0);Lysophosphatidylcholine(20:5/0:0);LPC(20:5n3/0:0);LPC(20:5w3/0:0);Lysophosphatidylcholine(20:5n3/0:0);Lysophosphatidylcholine(20:5w3/0:0);1-eicosapentaenoyl-glycero-3-phosphocholine;Q27160572;LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0);3,5,9-Trioxa-4-phosphanonacosa-14,17,20,23,26-pentaen-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, [R-(all-Z)]-

Chemical Property of LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))

Chemical Property:

• PSA: 114.93000
• LogP: 6.09020
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 23
• Exact Mass: 541.31683987
• Heavy Atom Count: 37
• Complexity: 774

Purity/Quality:

97% ^*data from raw suppliers

1-Eicosapentaenoyl-sn-glycerol-3-phosphocholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
• Isomeric SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
• Uses: A possible molecular biomarker for the early detection of osteoarthritis. 1-Eicosapentaenoyl-sn-glycerol-3-phosphocholine is a possible molecular biomarker for the early detection of osteoarthritis.