1-Eicosapentaenoyl-sn-glycerol-3-phosphocholine
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1-Eicosapentaenoyl-sn-glycerol-3-phosphocholine
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CAS No:
162440-04-2
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Formula:
C28H48NO7P
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Chemical Name:
1-Eicosapentaenoyl-sn-glycerol-3-phosphocholine
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Synonyms:
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z));LysoPC(20:5);LPC(20:5);PC(20:5/0:0);PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0);1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphocholine;[(2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate;LPC 20:5;Lysophosphatidylcholine(20:5);LyPC(20:5)
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CAS No:
Characteristics
105
4
Solid
241.9 Ų [M+HCOO]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|245.5 Ų [M+HCOO]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|238.62 Ų [M+CH3COO]- [CCS Type: TIMS, Method: single field calibrated]|227.4 Ų [M+H]+ [CCS Type: TIMS, Method: single field calibrated]|231.71 Ų [M+Na]+ [CCS Type: TIMS, Method: single field calibrated]
1-Eicosapentaenoyl-sn-glycerol-3-phosphocholine Use and Manufacturing
A possible molecular biomarker for the early detection of osteoarthritis.
Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Monoacylglycerophosphocholines [GP0105]
Computed Properties
Molecular Weight:541.7
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:23
Exact Mass:541.31683987
Monoisotopic Mass:541.31683987
Topological Polar Surface Area:105
Heavy Atom Count:37
Complexity:774
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- malonic acid
- smz tmp drug
- fe3o4
- isobutene
- benzyl bromide
- p-aminobenzoic acid
1-Eicosapentaenoyl-sn-glycerol-3-phosphocholine
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