Chemical Components in the PDB

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MAW : Summary

Code

MAW

One-letter code

X

Molecule name

4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid
OpenEye OEToolkits 2.0.7 (2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

Formula

C6 H8 O6

Formal charge

0

Molecular weight

176.124 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1C(O)C(O)C=C(O1)C(=O)O
SMILES CACTVS 3.385 O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C1=C(OC(C(C1O)O)O)C(=O)O
Canonical SMILES CACTVS 3.385 O[C@@H]1OC(=C[C@H](O)[C@@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O

IUPAC InChI

InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4-,6+/m0/s1

IUPAC InChI key

IAKKJSVSFCTLRY-NVFHJIOMSA-N
MAW

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2002-12-18

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned