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X81

Summary
Name:1-STEAROYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHATE
Formula:C39 H74 O8 P
Formal charge:-1
Formula weight:701.974 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl hydrogen phosphate
OpenEye OEToolkits1.5.0[(2R)-3-octadecanoyloxy-2-octadec-9-enoyloxy-propyl] hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P([O-])(O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCC\C=C\CCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCC=CCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC
InChIInChI1.03InChI=1S/C39H75O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37H,3-17,19,21-36H2,1-2H3,(H2,42,43,44)/p-1/t37-/m1/s1
InChIKeyInChI1.03HHMKVXGZZUOMHM-DIPNUNPCSA-M

224931

數據於2024-09-11公開中

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