KEGG   COMPOUND: C07756
Entry
C07756                      Compound                               
Name
7-Aminocephalosporanic acid;
7-Aminocephalosporinic acid;
7-ACA;
(7R)-7-Aminocephalosporanate
Formula
C10H12N2O5S
Exact mass
272.0467
Mol weight
272.28
Structure
Reaction
R07402
Pathway
map00311  Penicillin and cephalosporin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
3.5.1.93
Other DBs
CAS: 957-68-6
PubChem: 9958
ChEBI: 2255
PDB-CCD: 4KR[PDBj]
NIKKAJI: J7.191I
LinkDB
KCF data

ATOM        18
            1   N1y N    22.0765  -23.1337
            2   C1y C    22.0765  -21.7344
            3   C2y C    23.2866  -23.8634
            4   C5x C    20.6774  -23.1337
            5   C1y C    20.6774  -21.7344
            6   S2x S    23.2866  -21.0349
            7   C2y C    24.5139  -23.1452
            8   C6a C    23.3449  -25.2625
            9   O5x O    19.6871  -24.1180
            10  C1x C    24.5139  -21.7344
            11  C1b C    25.7169  -23.8391
            12  O6a O    22.0591  -25.9378
            13  O6a O    24.4779  -25.9622
            14  O7a O    26.9327  -23.1394
            15  C7a C    28.1356  -23.8391
            16  C1a C    29.3457  -23.1394
            17  O6a O    28.1487  -25.2322
            18  N1a N    19.6862  -20.7432
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     6  10 1
            10    7  11 1
            11    8  12 1
            12    8  13 2
            13   11  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 2
            17    4   5 1
            18    7  10 1
            19    5  18 1 #Up

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