3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-[[(10E)-11-carboxy-1,9-dioxo-10-undecen-1-yl]oxy]-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
CAS Registry Number®
439904-34-4
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CAS Name
3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-[[(10E)-11-carboxy-1,9-dioxo-10-undecen-1-yl]oxy]-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-Molecular Formula
C36H66NO11PCite this Page
3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-[[(10E)-11-carboxy-1,9-dioxo-10-undecen-1-yl]oxy]-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=439904-34-4 (retrieved ) (CAS RN: 439904-34-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C36H66NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-35(41)45-30-33(31-47-49(43,44)46-29-28-37(2,3)4)48-36(42)25-22-19-16-17-20-23-32(38)26-27-34(39)40/h26-27,33H,5-25,28-31H2,1-4H3,(H-,39,40,43,44)/b27-26+/t33-/m1/s1
InChIKey
InChIKey=XWKBYMQTSGGZLW-PHSKOSPPSA-N
SMILES
[C@@H](COP(OCC[N+](C)(C)C)(=O)[O-])(OC(CCCCCCCC(/C=C/C(O)=O)=O)=O)COC(CCCCCCCCCCCCCCC)=O
Canonical SMILES
O=C(O)C=CC(=O)CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Other Names for this Substance
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-[[(10E)-11-carboxy-1,9-dioxo-10-undecen-1-yl]oxy]-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
- 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-[[(10E)-11-carboxy-1,9-dioxo-10-undecenyl]oxy]-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
- 1-Palmitoyl-2-(4-keto-dodec-3-ene-dioyl)phosphatidylcholine
- KDdiA-PPC