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HHG

Summary
Name:(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATE
Synonyms:1-MONOHEXANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE
Formula:C9 H19 O7 P
Formal charge:0
Formula weight:270.217 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-hydroxy-3-(phosphonooxy)propyl hexanoate
OpenEye OEToolkits1.5.0[(2S)-2-hydroxy-3-phosphonooxy-propyl] hexanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)COC(=O)CCCCC
SMILES_CANONICALCACTVS3.341CCCCCC(=O)OC[C@H](O)CO[P](O)(O)=O
SMILESCACTVS3.341CCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCC(=O)OC[C@@H](COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0CCCCCC(=O)OCC(COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1
InChIKeyInChI1.03FIMVTNBZKNVWDN-QMMMGPOBSA-N

223790

PDB entries from 2024-08-14

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