The Biofilms Structural Database

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HCS

1JQW

Code

HCS

Name

2-amino-4-mercapto-butyric acid

Molecular Weight

135.19

Isomeric SMILES

N[C@@H](CCS)C(O)=O

Formula

C4H9NO2S

Identifiers

(2S)-2-amino-4-sulfanyl-butanoic acid

Formal Charge

0

InChI

InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1

Atom Count

17

InChIKey

FFFHZYDWPBMWHY-VKHMYHEASA-N

PDB codes

1JQW

Type

L-Peptide linking

Chiral Atom Count

1

Chiral Atoms

CA

Bond Count

16

Aromatic Bond Count

0

Leaving Atoms

OXT, H2, HXT