Glyceryl tri(oleate-1-13C)
2,3-bis[[(Z)-(113C)octadec-9-enoyl]oxy]propyl (Z)-(113C)octadec-9-enoate
Molecular Identity
Glyceryl tri(oleate-1-13C)
2,3-bis[[(Z)-(113C)octadec-9-enoyl]oxy]propyl (Z)-(113C)octadec-9-enoate
PubChem CID: 12313707
2D Structure
Properties
C57H104O6
Molecular Formula
888.40
Molecular Weight
g/mol
887.7934
Exact Mass
Da
22.4
XLogP
Above Lipinski threshold
78.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCCIsomeric SMILES
SMILES: CCCCCCCC/C=C\CCCCCCC[13C](=O)OCC(O[13C](=O)CCCCCCC/C=C\CCCCCCCC)CO[13C](=O)CCCCCCC/C=C\CCCCCCCCSynonyms(19)
Glyceryl tri(oleate-1-13C)82005-46-7Triolein 13C3Triolein 13C2,3-bis[[(Z)-(113C)octadec-9-enoyl]oxy]propyl (Z)-(113C)octadec-9-enoateTriolein-13C39-Octadecenoic-1-13C acid, 1,2,3-propanetriyl ester, (Z,Z,Z)-C57H104O6Triolein-1,1,1-13C3SCHEMBL29356381HY-N1981SMFCD00145462Propane-1,2,3-triyl trioleate-1-13CMS-31653CS-0226236
Data from PubChem (NCBI)
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Drug Network
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