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A1A0P

Summary
Name:(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z)-heptadec-9-enoate
Formula:C38 H74 N O8 P
Formal charge:0
Formula weight:703.97 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z)-heptadec-9-enoate
OpenEye OEToolkits2.0.7[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-hexadecanoyloxy-propyl] (~{Z})-heptadec-9-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NCCOP(O)(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI1.06InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h15,17,36H,3-14,16,18-35,39H2,1-2H3,(H,42,43)/b17-15-/t36-/m1/s1
InChIKeyInChI1.06STZSQXAKBIOPFK-HZVSPZAISA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCC)CO[P](O)(=O)OCCN
SMILESCACTVS3.385CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCCC)CO[P](O)(=O)OCCN
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)(O)OCCN
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCC)COP(=O)(O)OCCN

247947

PDB entries from 2026-01-21

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