LMFA07050212
  LIPID_MAPS_STRUCTURE_DATABASE

 54 56  0  0  0  0            999 V2000
    2.6684    1.2558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0010    1.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135    0.4712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3335    1.2558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5885    0.4712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8984   -0.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0773   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345   -3.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7918   -3.1977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5062   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -3.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1923   -0.7227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4779   -0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5095    0.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5095    0.9274    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8595    0.9274    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.5489    1.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1035   -0.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2785   -1.0213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1035   -1.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0662    0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7886    2.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0662    0.1337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6091    2.1782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951    0.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7807   -0.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951    0.1338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2095    1.3713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200   -2.7852    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9055   -4.0227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9055   -3.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2379   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4766   -4.0227    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
 13 10  1  0  0  0  0
 10  9  1  0  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 11  2  0  0  0  0
 12 14  1  0  0  0  0
 16 14  1  0  0  0  0
 13 12  1  0  0  0  0
 16 15  2  0  0  0  0
 16 21  1  0  0  0  0
 21 19  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
 19 20  1  0  0  0  0
 21 22  1  6  0  0  0
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 30 24  1  0  0  0  0
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 31 25  1  0  0  0  0
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 30 27  1  0  0  0  0
 31 28  2  0  0  0  0
 31 29  1  0  0  0  0
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 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
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 41 39  2  0  0  0  0
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 46 45  1  0  0  0  0
 48 50  1  0  0  0  0
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 50 51  1  0  0  0  0
 51 53  1  0  0  0  0
 53 52  1  0  0  0  0
 53 54  1  0  0  0  0
M  END
> <LM_ID>
LMFA07050212

> <COMMON_NAME>
3-hydroxybutyryl-CoA

> <SYSTEMATIC_NAME>
3-hydroxybutanoyl-CoA

> <FORMULA>
C25H42N7O18P3S

> <MASS>
853.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl CoAs [FA0705]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
S-(3-hydroxybutanoyl)-CoA;S-(3-hydroxybutanoyl)-coenzyme A;S-(3-hydroxybutyryl)-CoA;S-(3-hydroxybutyryl)-coenzyme A

> <KEGG_ID>
C03561

> <HMDB_ID>
HMDB01166

> <YMDB_ID>
-

> <CHEBI_ID>
37050

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000390090

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
644065

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA07050212

$$$$