GBC

GABACULINE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where GBC is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	0

2D diagram of GBC

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Chemical Component Summary
Name	GABACULINE
Systematic Name (OpenEye OEToolkits)	3-aminocyclohexene-1-carboxylic acid
Formula	C₇ H₁₁ N O₂
Molecular Weight	141.168
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1=CC(N)CCC1
SMILES	CACTVS	3.341	N[CH]1CCCC(=C1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1CC(C=C(C1)C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H]1CCCC(=C1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1CC(C=C(C1)C(=O)O)N
InChI	InChI	1.03	InChI=1S/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,6H,1-3,8H2,(H,9,10)/t6-/m1/s1
InChIKey	InChI	1.03	ZCGFCFMGAXXBTD-ZCFIWIBFSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1232972
PubChem	49867022
ChEMBL	CHEMBL1232972

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