KEGG   COMPOUND: C13440Help
Entry
C13440                      Compound                               

Name
Cefaloglycin;
Cephaloglycin anhydrous
Formula
C18H19N3O6S
Exact mass
405.0995
Mol weight
405.425
Structure
Mol fileKCF fileDB search
Remark
Same as: D01949
Other DBs
CAS: 3577-01-3
PubChem: 586181
ChEBI: 34613
ChEMBL: CHEMBL1200971
NIKKAJI: J3.406A
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1y C    27.7757  -14.8912
            2   N1y N    27.7757  -16.2903
            3   C2y C    28.9873  -16.9897
            4   C2y C    30.1990  -16.2903
            5   C1x C    30.1990  -14.8912
            6   S2x S    28.9873  -14.1917
            7   C1y C    26.3765  -14.8912
            8   C5x C    26.3765  -16.2903
            9   N1b N    25.1650  -14.1917
            10  C5a C    23.9532  -14.8912
            11  O5a O    23.9532  -16.2903
            12  O5x O    25.1650  -16.9897
            13  C1c C    22.7416  -14.1917
            14  C1b C    31.4293  -17.0009
            15  C6a C    28.9873  -18.3886
            16  O6a O    27.7589  -19.0980
            17  O6a O    30.1820  -19.0785
            18  C8y C    21.5104  -14.9029
            19  C8x C    20.3003  -14.2042
            20  C8x C    19.0901  -14.9029
            21  C8x C    19.0901  -16.3002
            22  C8x C    20.3003  -16.9989
            23  C8x C    21.5104  -16.3002
            24  N1a N    22.7416  -12.7880
            25  O7a O    32.6458  -16.2987
            26  C7a C    33.8572  -16.9984
            27  C1a C    35.0376  -16.3171
            28  O6a O    33.8574  -18.4170
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15    4  14 1
            16    3  15 1
            17   15  16 2
            18   15  17 1
            19   13  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   13  24 1 #Up
            27   14  25 1
            28   25  26 1
            29   26  27 1
            30   26  28 2

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