-OEChem-01131113482D

 14 13  0     1  0  0  0  0  0999 V2000
 -110.7900  520.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  594.3980  144.5300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  373.8960  524.9650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -59.1870  999.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 -605.1170  270.5550    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
 -110.7900  270.5550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
 -357.9200  130.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  129.1600  130.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  373.8960  270.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.2548  744.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -825.6520  144.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -605.1170   16.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -605.1170  524.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  329.7080  714.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  6  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 14  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
57390790

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
O-ACETYLCARNITINE

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: O-Acyl-L-Carnitines
Is a product of enzyme EC 2.3.1.7

> <PUBCHEM_SUBSTANCE_SYNONYM>
(-)-acetylcarnitine
(-)O-acetylcarnitine
(R)-Acetylcarnitine
1-propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt
14992-62-2
L-O-acetylcarnitine
O-acetyl-L-carnitine
O-acetylcarnitine
R-acetylcarnitine
acetyl-L-carnitine
acetylcarnitine
levocarnitine acetyl

> <PUBCHEM_GENERIC_REGISTRY_NAME>
14992-62-2

> <PUBCHEM_XREF_EXT_ID>
O-ACETYLCARNITINE

> <PUBCHEM_PUBMED_ID>
15591000

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.biocyc.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=O-ACETYLCARNITINE

> <PUBCHEM_CID_ASSOCIATIONS>
1  1
2  2

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
1  6  6

$$$$