6CM

N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)HEXANAMIDE

Created: 2005-11-28
Last modified:  2020-05-26

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count2
Bond Count74
Aromatic Bond Count0
2D diagram of 6CM
Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)HEXANAMIDE
SynonymsC6-CERAMIDE; N-HEXANOYL-D-ERYTHRO-SPHINGOSINE; (2S,3R,4E)-2-HEXANOYLAMINOOCTADEC-4-ENE-1,3-DIOL; (2S,3R,4E)-2-HEXANOYLAMINO-1,3-OCTADEC-4-ENEDIOL
Systematic Name (OpenEye OEToolkits)N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexanamide
FormulaC24 H47 N O3
Molecular Weight397.635
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCC
SMILESCACTVS3.341CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCC)O
Canonical SMILESCACTVS3.341 CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO)NC(=O)CCCCC)O
InChIInChI1.03 InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-,23+/m0/s1
InChIKeyInChI1.03 NPRJSFWNFTXXQC-QFWQFVLDSA-N

Related Resource References

Resource NameReference
PubChem 5702613
ChEMBL CHEMBL224877
ChEBI CHEBI:63867