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GEY : Summary

Code

GEY

One-letter code

X

Molecule name

(2Z)-dodec-2-enoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2Z)-dodec-2-enoic acid
OpenEye OEToolkits 2.0.6 (~{Z})-dodec-2-enoic acid

Formula

C12 H22 O2

Formal charge

0

Molecular weight

198.302 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(\C=C/CCCCCCCCC)(O)=O
SMILES CACTVS 3.385 CCCCCCCCCC=CC(O)=O
SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCCC=CC(=O)O
Canonical SMILES CACTVS 3.385 CCCCCCCCC\C=C/C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCC/C=C\C(=O)O

IUPAC InChI

InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10-

IUPAC InChI key

PAWGRNGPMLVJQH-KHPPLWFESA-N
GEY

wwPDB Information

Atom count

36 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-18

Last modified at

2018-12-28

Status

Released

Obsoleted

Not Assigned