Chemical Components in the PDB

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MWC : Summary

Code

MWC

One-letter code

X

Molecule name

dihydroxy[(5-methylfuran-2-yl)methoxy]amine

Systematic names

ProgramVersionName
ACDLabs 12.01 dihydroxy[(5-methylfuran-2-yl)methoxy]amine
OpenEye OEToolkits 2.0.7 2-[[bis(oxidanyl)amino]oxymethyl]-5-methyl-furan

Formula

C6 H9 N O4

Formal charge

0

Molecular weight

159.14 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 ON(O)OCc1ccc(C)o1
SMILES CACTVS 3.385 Cc1oc(CON(O)O)cc1
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(o1)CON(O)O
Canonical SMILES CACTVS 3.385 Cc1oc(CON(O)O)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(o1)CON(O)O

IUPAC InChI

InChI=1S/C6H9NO4/c1-5-2-3-6(11-5)4-10-7(8)9/h2-3,8-9H,4H2,1H3

IUPAC InChI key

SOQIEJLVISKOKS-UHFFFAOYSA-N
MWC

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-03-21

Last modified at

2022-03-25

Status

Released

Obsoleted

Not Assigned