C00222

Entry

C00222                      Compound

Name

3-Oxopropanoate;
Malonate semialdehyde

Formula

C3H4O3

Exact mass

88.016

Mol weight

88.0621

Structure

Reaction

R00705 R00706 R00740 R00907 R00908 R01604 R01607 R01608
R01609 R01611 R05371 R05372 R05378 R06973 R09289 R09983
R10947

Pathway

map00240

Pyrimidine metabolism

map00410

beta-Alanine metabolism

map00562

Inositol phosphate metabolism

map00625

Chloroalkane and chloroalkene degradation

map00640

Propanoate metabolism

map00720

Carbon fixation pathways in prokaryotes

map01100

Metabolic pathways

map01120

Microbial metabolism in diverse environments

map01200

Carbon metabolism

Module

M00013

Malonate semialdehyde pathway, propanoyl-CoA => acetyl-CoA

M00375

Hydroxypropionate-hydroxybutylate cycle

M00376

3-Hydroxypropionate bi-cycle

M00939

Pyrimidine degradation, uracil => 3-hydroxypropanoate

Enzyme

1.1.1.59        1.1.1.298       1.1.1.-         1.2.1.15
1.2.1.18        1.2.1.27        1.2.1.75        1.7.3.5
2.6.1.18        2.6.1.19        2.6.1.55        2.6.1.120
3.5.1.-         3.8.1.-         4.1.1.-         4.1.2.29
4.2.1.27        4.2.1.155

Brite

Compounds with biological roles [BR:br08001]
Organic acids
  Carboxylic acids
   3-Oxocarboxylic acids
    C00222  3-Oxopropanoate

Other DBs

PubChem:

3522

ChEBI:

17960 33190

PDB-CCD:

FK2[PDBj]

3DMET:

B00062

NIKKAJI:

J7.174I

KCF data

ATOM        6
            1   C1b C    25.6253  -16.8948
            2   C6a C    26.8418  -16.1930
            3   C4a C    24.4147  -16.1930
            4   O6a O    28.0523  -16.8948
            5   O6a O    26.8418  -14.7953
            6   O4a O    23.2041  -16.8948
BOND        5
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 2