LMST05050056
  LIPID_MAPS_STRUCTURE_DATABASE

 46 50  0     0  0            999 V2000
   11.0141    8.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0086   10.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1634    9.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529    8.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8822    9.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8787    8.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6111    9.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7484   10.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0113    9.3189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8506   10.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7518   11.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5977   11.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7496   12.2921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4403   11.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2861   11.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8776    7.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2937    8.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2937    7.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529    6.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0141    7.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4400    8.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5863    8.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5863    7.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4400    6.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2937    9.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8678    6.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0086   11.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2861   12.7808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1398   11.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2937    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5559   10.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0288   11.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1326   11.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1463   11.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1463   10.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8262   11.6826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529    7.8131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1326   12.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9987   13.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9987   14.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8647   14.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7307   14.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7307   13.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8647   12.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6 17  1  6  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 18 26  1  1  0  0  0
 24 27  1  6  0  0  0
 21 28  1  6  0  0  0
  2 29  1  6  0  0  0
 16 30  2  0  0  0  0
 16 31  1  0  0  0  0
 19 32  1  1  0  0  0
  9 33  1  6  0  0  0
 12 34  1  6  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
  4 39  1  6  0  0  0
 35 40  1  1     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 42 43  2  0     0  0
 43 44  1  0     0  0
 44 45  2  0     0  0
 45 46  1  0     0  0
 46 41  2  0     0  0
M  END
> <LM_ID>
LMST05050056

> <COMMON_NAME>
Phenylalanocholic Acid

> <SYSTEMATIC_NAME>
N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-L-phenylalanine

> <FORMULA>
C33H49NO6

> <MASS>
555.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Amino acid conjugates [ST0506]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
487462

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05050056

$$$$