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7P9

Summary
Name:[(2R)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate
Formula:C19 H37 O8 P
Formal charge:0
Formula weight:424.466 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-1-(heptanoyloxy)-3-(phosphonooxy)propan-2-yl nonanoate
OpenEye OEToolkits1.9.2[(2R)-1-heptanoyloxy-3-phosphonooxy-propan-2-yl] nonanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC(COP(=O)(O)O)COC(=O)CCCCCC)CCCCCCCC
InChIInChI1.03InChI=1S/C19H37O8P/c1-3-5-7-9-10-12-14-19(21)27-17(16-26-28(22,23)24)15-25-18(20)13-11-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
InChIKeyInChI1.03XKPYMIOWFWFMRM-QGZVFWFLSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P](O)(O)=O
SMILESCACTVS3.385CCCCCCCCC(=O)O[CH](COC(=O)CCCCCC)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O
SMILESOpenEye OEToolkits1.9.2CCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)O

223166

PDB entries from 2024-07-31

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