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2ED

Summary
Name:N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
Synonyms:C2-ceramide
Formula:C20 H39 N O3
Formal charge:0
Formula weight:341.529 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
OpenEye OEToolkits1.5.0N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)C
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO)NC(C)=O
SMILESCACTVS3.341CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(C)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCC\C=C\[C@H]([C@@H](CO)NC(=O)C)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C)O
InChIInChI1.03InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1
InChIKeyInChI1.03BLTCBVOJNNKFKC-KTEGJIGUSA-N

223532

PDB entries from 2024-08-07

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