18C

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

Created:	2007-07-16
Last modified:	2020-05-26

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2 entries where 18C is found as a standalone ligand2 entries where 18C is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	111
Chiral Atom Count	2
Bond Count	110
Aromatic Bond Count	0

2D diagram of 18C

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Chemical Component Summary
Name	N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE
Synonyms	C18-CERAMIDE; N-STEAROYL-D-ERYTHRO-SPHINGOSINE; (2S,3R,4E)-2-STEAROYLAMINOOCTADEC-4-ENE-1,3-DIOL; (2S,3R,4E)-2-STEAROYLAMINO-1,3-OCTADEC-4-ENEDIOL
Systematic Name (OpenEye OEToolkits)	N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide
Formula	C₃₆ H₇₁ N O₃
Molecular Weight	565.954
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)C=CCCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O
InChI	InChI	1.03	InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1
InChIKey	InChI	1.03	VODZWWMEJITOND-NXCSZAMKSA-N

Related Resource References

Resource Name	Reference
PubChem	5283565
ChEBI	CHEBI:72961

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