(Q27139801)

inferred from isomeric SMILES

1 February 2021

mass

209.99403635382 dalton

1 reference

based on heuristic

chemical formula

C₅H₇O₇P²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)C(=O)C(COP(=O)([O-])[O-])O

1 reference

(4S)-4-hydroxy-5-phosphonooxypentane-2,3-dione (English)

7 October 2016

isomeric SMILES

CC(=O)C(=O)[C@H](COP(=O)([O-])[O-])O

1 reference

(4S)-4-hydroxy-5-phosphonooxypentane-2,3-dione (English)

InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/p-2/t4-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

(4S)-4-hydroxy-5-phosphonooxypentane-2,3-dione (English)

DTZHMTDUIGHESZ-BYPYZUCNSA-L

7 October 2016

InChIKey

2 references

(4S)-4-hydroxy-5-phosphonooxypentane-2,3-dione (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-2-Hydroxy-3,4-dioxopentyl phosphate (English)

7 October 2016

2 references

(4S)-4-hydroxy-5-phosphonooxypentane-2,3-dione (English)

matched by identifier from

7 October 2016

InChIKey

DTZHMTDUIGHESZ-BYPYZUCNSA-L

ChEBI ID

71677

mapping relation type

2 references

(2S)-2-hydroxy-3,4-diketopentyl phosphate(2-) (English)