CER

(2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE

Created:	1999-07-08
Last modified:	2024-09-27

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8 entries where CER is found as a standalone ligand5 entries where CER is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	0

2D diagram of CER

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Chemical Component Summary
Name	(2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE
Synonyms	CERULENIN
Systematic Name (OpenEye OEToolkits)	(3S,7E,10E)-3-hydroxy-4-oxo-dodeca-7,10-dienamide
Formula	C₁₂ H₁₉ N O₃
Molecular Weight	225.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N)CC(O)C(=O)CC/C=C/C/C=C/C
SMILES	CACTVS	3.341	CC=CCC=CCCC(=O)[CH](O)CC(N)=O
SMILES	OpenEye OEToolkits	1.5.0	CC=CCC=CCCC(=O)C(CC(=O)N)O
Canonical SMILES	CACTVS	3.341	C/C=C/C/C=C/CCC(=O)[C@@H](O)CC(N)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C\C=C\C\C=C\CCC(=O)[C@H](CC(=O)N)O
InChI	InChI	1.03	InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m0/s1
InChIKey	InChI	1.03	QEPYZBPOTYDXNA-FECJWDPASA-N

Related Resource References

Resource Name	Reference
PubChem	5287908

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