1XG

(3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide

Created:	2013-07-26
Last modified:	2024-09-27

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1 entries where 1XG 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 1XG

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Chemical Component Summary
Name	(3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide
Systematic Name (OpenEye OEToolkits)	(3R,7E,10E)-3-oxidanyl-4-oxidanylidene-dodeca-7,10-dienamide
Formula	C₁₂ H₁₉ N O₃
Molecular Weight	225.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CC/C=C/C/C=C/C)C(O)CC(=O)N
SMILES	CACTVS	3.385	CC=CCC=CCCC(=O)[CH](O)CC(N)=O
SMILES	OpenEye OEToolkits	1.7.6	CC=CCC=CCCC(=O)C(CC(=O)N)O
Canonical SMILES	CACTVS	3.385	C\C=C\C\C=C\CCC(=O)[C@H](O)CC(N)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	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-/m1/s1
InChIKey	InChI	1.03	QEPYZBPOTYDXNA-IZFUEKCOSA-N

Related Resource References

Resource Name	Reference
PubChem	137348008

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