The Biofilms Structural Database

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phospho-Autoinducer-2

4L4Z

Code

D5X

Name

(2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate

Molecular Weight

230.11

Isomeric SMILES

CC(=O)C(O)(O)[[email protected]@H](O)COP(O)(O)=O

Formula

C5H11O8P

Identifiers

[(2S)-2,3,3-tris(oxidanyl)-4-oxidanylidene-pentyl] dihydrogen phosphate

Formal Charge

0

InChI

InChI=1S/C5H11O8P/c1-3(6)5(8,9)4(7)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t4-/m0/s1

Atom Count

25

InChIKey

FWCIRYJUXQBEHG-BYPYZUCNSA-N

PDB codes

4L4Z

Type

Non-polymer

Chiral Atom Count

1

Chiral Atoms

C4

Bond Count

24

Aromatic Bond Count

0

Leaving Atoms

n/a