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X41

Summary
Name:1-MYRISTOYL-2-MYRISTOLEOYL-SN-GLYCERO-3-PHOSPHATE
Formula:C31 H58 O8 P
Formal charge:-1
Formula weight:589.761 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2-(tetradecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl hydrogen phosphate
OpenEye OEToolkits1.5.0[(2R)-2-tetradecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxy-propyl] hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCC)CO[P](O)([O-])=O
SMILESCACTVS3.341CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCC)CO[P](O)([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCC)CO[P@@](=O)(O)[O-]
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCC)COP(=O)(O)[O-]
InChIInChI1.03InChI=1S/C31H59O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,29H,3-8,10,12-28H2,1-2H3,(H2,34,35,36)/p-1/b11-9-/t29-/m1/s1
InChIKeyInChI1.03GVANAVLIALOKCA-HQGHLRICSA-M

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건을2024-07-10부터공개중

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