The Biofilms Structural Database

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RHC

1JVI

Code

RHC

Name

5-(3-amino-4,4-dihyroxy-butylsulfanylmethyl)-tetrahydro-furan-2,3,4-triol

Molecular Weight

267.3

Isomeric SMILES

N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O

Formula

C9H17NO6S

Identifiers

(2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

Formal Charge

0

InChI

InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1

Atom Count

34

InChIKey

IQFWYNFDWRYSRA-OEQWSMLSSA-N

PDB codes

1JVI

Type

Non-polymer

Chiral Atom Count

5

Chiral Atoms

C1, C2, C3, C4, CA

Bond Count

34

Aromatic Bond Count

0

Leaving Atoms

n/a