LMFA07050337
  LIPID_MAPS_STRUCTURE_DATABASE

 56 58  0  0  0  0            999 V2000
   26.4894   -2.1919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.8220   -1.7070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2345   -2.9765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.1545   -2.1919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4095   -2.9765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.7194   -3.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7437   -6.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4865   -6.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0292   -6.6454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3148   -6.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6003   -6.6454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0576   -4.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3148   -5.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0576   -4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6287   -4.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3431   -3.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7721   -2.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6451   -1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0576   -2.5203    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.4701   -1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3431   -2.9328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6286   -2.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4865   -2.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1365   -2.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7865   -2.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3115   -1.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3115   -3.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9615   -1.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9615   -3.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3115   -2.5203    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   22.9615   -2.5203    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   24.3699   -1.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9245   -3.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0995   -4.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7495   -4.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9245   -4.4690    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   24.9245   -5.2940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2740   -1.9370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8872   -2.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6096   -1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6016   -2.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8872   -3.3140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4301   -1.2695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.3161   -2.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6017   -3.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3161   -3.3139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0305   -2.0764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2010   -6.2329    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.9154   -7.4704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9154   -6.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6299   -6.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3444   -7.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3444   -6.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0588   -5.4079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0588   -6.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7733   -6.6454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  1  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3  6  1  6  0  0  0
  4 32  1  1  0  0  0
  5  4  1  0  0  0  0
  5 33  1  6  0  0  0
  9  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 48  1  0  0  0  0
 10  9  1  0  0  0  0
 13 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 13 12  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 21  1  0  0  0  0
 19 17  1  0  0  0  0
 17 23  1  0  0  0  0
 19 18  1  0  0  0  0
 21 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  6  0  0  0
 23 30  1  0  0  0  0
 30 24  1  0  0  0  0
 24 31  1  0  0  0  0
 31 25  1  0  0  0  0
 32 25  1  0  0  0  0
 30 26  2  0  0  0  0
 30 27  1  0  0  0  0
 31 28  2  0  0  0  0
 31 29  1  0  0  0  0
 33 36  1  0  0  0  0
 36 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
 41 39  2  0  0  0  0
 42 39  1  0  0  0  0
 43 40  2  0  0  0  0
 44 41  1  0  0  0  0
 43 41  1  0  0  0  0
 45 42  2  0  0  0  0
 46 44  2  0  0  0  0
 47 44  1  0  0  0  0
 46 45  1  0  0  0  0
 48 50  1  0  0  0  0
 50 49  2  0  0  0  0
 50 51  1  0  0  0  0
 51 53  1  0  0  0  0
 53 52  2  0  0  0  0
 53 55  1  0  0  0  0
 55 54  2  0  0  0  0
 55 56  1  0  0  0  0
M  END
> <LM_ID>
LMFA07050337

> <COMMON_NAME>
itaconyl-CoA

> <SYSTEMATIC_NAME>
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxybut-3-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

> <FORMULA>
C26H40N7O19P3S

> <MASS>
879.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl CoAs [FA0705]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
15528

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11966125

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA07050337

$$$$