|
LG6 : Summary
Code
|
LG6
|
One-letter code
|
X
|
Molecule name
|
L-GULURONIC ACID 6-PHOSPHATE
|
Systematic names
|
|
Formula
|
C6 H13 O10 P
|
Formal charge
|
0
|
Molecular weight
|
276.135 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O |
SMILES
|
CACTVS |
3.341 |
O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O |
Canonical SMILES
|
CACTVS |
3.341 |
O[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O |
|
IUPAC InChI | InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,4-,5-/m0/s1 |
IUPAC InChI key | BIRSGZKFKXLSJQ-QTBDOELSSA-N |
|
wwPDB Information |
Atom count
|
30 (17 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2002-02-06
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|