KEGG   COMPOUND: C01984
Entry
C01984                      Compound                               
Name
(S)-Mandelate;
(S)-2-Hydroxy-2-phenylacetic acid;
(S)-2-Hydroxy-2-phenylacetate;
(S)-Mandelic acid
Formula
C8H8O3
Exact mass
152.0473
Mol weight
152.15
Structure
Remark
ATC code: B05CA06 J01XX06
Drug group: DG00185
Reaction
R03791 R03792 R03793 R03794 R07664
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.1.1.-         1.1.99.31       1.14.16.6       5.1.2.2
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B05 BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
   B05C IRRIGATING SOLUTIONS
    B05CA Antiinfectives
     B05CA06 Mandelic acid
      C01984  (S)-Mandelate
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XX Other antibacterials
     J01XX06 Mandelic acid
      C01984  (S)-Mandelate
Other DBs
CAS: 17199-29-0
PubChem: 5081
ChEBI: 17756 32800
KNApSAcK: C00037426
PDB-CCD: SMN[PDBj]
NIKKAJI: J74.069A
LinkDB
KCF data

ATOM        11
            1   C8y C    15.9132  -14.8858
            2   C1c C    15.9069  -13.4894
            3   C8x C    14.7026  -15.5841
            4   C8x C    17.1304  -15.5841
            5   C6a C    17.1112  -12.7911
            6   O1a O    14.6963  -12.7976
            7   C8x C    14.7026  -16.9933
            8   C8x C    17.1304  -16.9933
            9   O6a O    18.3219  -13.4829
            10  O6a O    17.1047  -11.4010
            11  C8x C    15.9132  -17.7042
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    7  11 2
            11    8  11 1

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