KEGG COMPOUND: C05155

COMPOUND: C05155

Entry

C05155                      Compound

Name

5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone;
5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone

Formula

C10H8ClN3O5

Exact mass

285.0152

Mol weight

285.6406

Structure

Comment

5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone is named incorrectly.

Reaction

R04602

Enzyme

1.13.11.36

Other DBs

PubChem:

ChEBI:

3DMET:

NIKKAJI:

LinkDB

KCF data

ATOM        19
            1   N4y N    26.3473  -18.6492
            2   C5a C    27.5615  -19.3430
            3   C8y C    26.3473  -17.2361
            4   N5x N    25.1270  -19.3623
            5   O5a O    27.5678  -20.7432
            6   C2b C    28.7627  -18.6492
            7   C8y C    25.1270  -16.5359
            8   O5x O    27.5550  -16.5359
            9   C8x C    23.9127  -18.6492
            10  C2b C    29.9767  -19.3367
            11  C8y C    23.9127  -17.2361
            12  X   Cl   25.1204  -15.1419
            13  C2b C    29.9832  -20.7369
            14  N1a N    22.7052  -16.5359
            15  C2c C    31.2098  -21.4353
            16  C6a C    32.3976  -20.7397
            17  O6a O    33.5984  -21.4234
            18  O6a O    32.3891  -19.3389
            19  O1a O    31.2184  -22.8412
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     6  10 2
            10    7  11 2
            11    7  12 1
            12   11  14 1
            13    9  11 1
            14   10  13 1
            15   13  15 2
            16   15  16 1
            17   16  17 1
            18   16  18 2
            19   15  19 1

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