 |
GCV : Summary
Code 
|
GCV
|
One-letter code
|
X
|
Molecule name
|
4-O-methyl-alpha-D-glucopyranuronic acid
|
Synonyms
|
4-O-METHYL-ALPHA-D-GLUCURONIC ACID
4-O-methyl-D-glucuronic acid
4-O-methyl-glucuronic acid
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Systematic names
|
|
Formula
|
C7 H12 O7
|
Formal charge
|
0
|
Molecular weight
|
208.166 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
10.04 |
O=C(O)C1OC(O)C(O)C(O)C1OC |
|
SMILES
|
CACTVS |
3.341 |
CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(O)=O |
|
SMILES
|
OpenEye OEToolkits |
1.5.0 |
COC1C(C(C(OC1C(=O)O)O)O)O |
|
Canonical SMILES
|
CACTVS |
3.341 |
CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1C(O)=O |
|
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O |
|
IUPAC InChI | InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7+/m1/s1 |
IUPAC InChI key | WGLLPAPKWFDHHV-NRGGUMNKSA-N |
|
wwPDB Information |
Atom count
|
26 (14 without Hydrogen)
|
Polymer type
|
Saccharide
|
Type description
|
D-saccharide, alpha linking
|
Type code
|
ATOMS
|
Is modified
|
Yes
|
Standard parent
|
GCU
|
Defined at
|
2001-11-06
|
Last modified at
|
2020-07-17
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Status
|
Released
|
Obsoleted
|
Not Assigned
|
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Protein Data Bank 
