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Z8A

Summary
Name:N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
Formula:C44 H89 N O4
Formal charge:0
Formula weight:696.182 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
OpenEye OEToolkits1.7.6N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)octadecan-2-yl]hexacosanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI1.03InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1
InChIKeyInChI1.03GKRXVCWVXYHWOD-KZRDWULCSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
SMILESCACTVS3.370CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O

225399

PDB entries from 2024-09-25

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