The Biofilms Structural Database

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NPG

3ZYF

Code

147

Name

1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE

Molecular Weight

301.25

Isomeric SMILES

OC[[email protected]]1O[[email protected]@H](Oc2ccc(cc2)[N+]([O-])=O)[[email protected]](O)[[email protected]@H](O)[[email protected]]1O

Formula

C12H15NO8

Identifiers

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol

Formal Charge

0

InChI

InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1

Atom Count

36

InChIKey

IFBHRQDFSNCLOZ-YBXAARCKSA-N

PDB codes

3ZYF

Type

D-SACCHARIDE

Chiral Atom Count

5

Chiral Atoms

C1, C2, C3, C4, C5

Bond Count

37

Aromatic Bond Count

6

Leaving Atoms

n/a