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A1LXR

Summary
Name:Cer(d18:0/20:0)
Synonyms:N-(eicosanoyl)-dihydroceramide
N-(eicosanoyl)-sphinganine
Formula:C38 H77 N O3
Formal charge:0
Formula weight:596.023 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(2~{S},3~{R})-1,3-bis(oxidanyl)octadecan-2-yl]icosanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1
InChIKeyInChI1.06ZWAUSWHRQBSECP-PQQNNWGCSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)CCCCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCCCCCCCCCCCCC)O

238582

数据于2025-07-09公开中

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