Silipide
[1-[(4E,9E,12E)-hexadeca-4,9,12-trienoyl]oxy-3-[(6E,10E,12E)-hexadeca-6,10,12-trienoyl]oxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate;(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Molecular Identity
Silipide
[1-[(4E,9E,12E)-hexadeca-4,9,12-trienoyl]oxy-3-[(6E,10E,12E)-hexadeca-6,10,12-trienoyl]oxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate;(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
PubChem CID: 6450536
2D Structure
Properties
C65H90NO18P
Molecular Formula
1204.40
Molecular Weight
g/mol
1203.5896
Exact Mass
Da
266
TPSA
May have limited oral absorption
5
H-Bond Donors
18
H-Bond Acceptors
1830
Complexity
SMILES
Canonical SMILES
SMILES: CCCC=CCC=CCCCC=CCCC(=O)OCC(COC(=O)CCCCC=CCCC=CC=CCCC)OP(=O)([O-])OCC[N+](C)(C)C.COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)OIsomeric SMILES
SMILES: CCC/C=C/C/C=C/CCC/C=C/CCC(=O)OCC(COC(=O)CCCC/C=C/CC/C=C/C=C/CCC)OP(=O)([O-])OCC[N+](C)(C)C.COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)OSynonyms(9)
SilipideRefChem:931743Idb-106Idb 1016134499-06-24H-1-Benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R-(2alpha,3beta,6(2R*,3R*)))-, mixt. with soya phosphatidylcholinesSCHEMBL1649845SCHEMBL29397468[1-[(4E,9E,12E)-hexadeca-4,9,12-trienoyl]oxy-3-[(6E,10E,12E)-hexadeca-6,10,12-trienoyl]oxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate;(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Data from PubChem (NCBI)
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