Ketcher 09171514232D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
   13.8487  -51.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1652  -53.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0651  -52.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0651  -51.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9649  -53.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8648  -52.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7646  -53.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8648  -51.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9649  -54.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0651  -54.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3682  -52.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4613  -52.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6894  -53.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3729  -51.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8925  -52.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9856  -52.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2138  -53.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3139  -52.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  6  8  2  0     0  0
  3  4  1  1     0  0
  3  5  1  0     0  0
  9 10  1  0     0  0
  5  9  1  6     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 11  1  1  0     0  0
 12  1  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 15 14  1  0     0  0
 16 14  1  0     0  0
 13 15  1  0     0  0
  2 11  1  0     0  0
 17 18  1  0     0  0
M  CHG  1   7  -1
M  STY  1   1 SRU
M  SLB  1   1   1
M  SCN  1   1 HT 
M  SMT   1 n
M  SAL   1  1  17
M  SBL   1  2  14  19
M  SDI   1  4   10.5865  -52.1297   10.6129  -53.6294
M  SDI   1  4    9.7771  -53.6442    9.7507  -52.1444
M  STY  1   2 SRU
M  SLB  1   2   2
M  SCN  1   2 HT 
M  SMT   2 m
M  SAL   2  1  13
M  SBL   2  2  10  17
M  SDI   2  4   13.0612  -52.1000   13.0895  -53.5998
M  SDI   2  4   12.3051  -53.6146   12.2768  -52.1148
M  STY  1   3 SRU
M  SLB  1   3   3
M  SCN  1   3 HT 
M  SMT   3 l
M  SAL   3  1   2
M  SBL   3  2   1  18
M  SDI   3  4   15.6152  -52.0850   15.6152  -53.5850
M  SDI   3  4   14.7667  -53.5850   14.7667  -52.0850
M  STY  1   4 SRU
M  SLB  1   4   4
M  SCN  1   4 HT 
M  SMT   4 k
M  SAL   4  1   9
M  SBL   4  2   7   8
M  SDI   4  4   17.1646  -54.7687   15.8655  -54.0187
M  SDI   4  4   16.3154  -53.2394   17.6144  -53.9893
M  END
> <ID>
CHEBI:87903

> <NAME>
an alpha-mycolate

> <DEFINITION>
The conjugate base of an α-mycolic acid.

> <STAR>
2

> <SYNONYM>
(Z,Z)-dicyclopropyl-alpha-mycolate

> <FORMULA>
(CH2)n.(CH2)m.(CH2)l.(CH2)kC11H17O3

> <CHARGE>
-1

> <PUBMED_CITATION>
22659327; 24374164

$$$$