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Z7B

Summary
Name:(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
Formula:C32 H67 O4 P
Formal charge:0
Formula weight:546.846 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
OpenEye OEToolkits1.7.6[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OCCCC(CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C)(O)O
InChIInChI1.03InChI=1S/C32H67O4P/c1-7-8-9-10-11-17-28(2)18-12-19-29(3)20-13-21-30(4)22-14-23-31(5)24-15-25-32(6)26-16-27-36-37(33,34)35/h28-32H,7-27H2,1-6H3,(H2,33,34,35)/t28-,29-,30-,31-,32-/m0/s1
InChIKeyInChI1.03WLNOCCJMGSEDAT-XDIGFQIYSA-N
SMILES_CANONICALCACTVS3.370CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P](O)(O)=O
SMILESCACTVS3.370CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(O)O
SMILESOpenEye OEToolkits1.7.6CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O

247536

PDB entries from 2026-01-14

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