LMST05030023
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.3619    9.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4122    8.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4122    7.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3116    7.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2613    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2111    7.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2111    8.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2613    9.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3116    8.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2613   10.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2111   10.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606   10.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606    9.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0601    9.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0601   10.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1104   10.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606   11.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3116    9.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1104   11.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2173   12.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8702   12.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6301   11.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3898   12.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.2247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2613    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3116    6.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3898   12.9857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1495   11.7841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2111    9.6457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2406    8.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606    8.4109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7255   11.2618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1104   12.7195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0156   12.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8816   11.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7476   12.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8816   10.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
  3 25  1  6  0  0  0
  6 26  1  6  0  0  0
  5 27  1  1  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
  8 30  1  1  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
 29 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 36 38  2  0     0  0
M  END
> <LM_ID>
LMST05030023

> <COMMON_NAME>
Glycohyodeoxycholic acid

> <SYSTEMATIC_NAME>
N-(3alpha,6alpha-Dihydroxy-5beta-cholan-24-oyl)-glycine

> <FORMULA>
C26H43NO5

> <MASS>
449.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Glycine conjugates [ST0503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
GHDCA; Glycine hyodeoxycholate

> <INCHI_KEY>
SPOIYSFQOFYOFZ-BRDORRHWSA-N

> <INCHI>
InChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(NCC(=O)O)=O)CC[C@@]4([H])[C@]3([H])C[C@H](O)[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166732

> <ABBREVIATION>
ST 24:1;O3;Gly

> <CAYMAN_ID>
22643

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
114611

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Sterol Lipids [ST]

> <ALT_MAIN_CLASSES>
Bile acids and derivatives [ST04]

> <ALT_SUB_CLASSES>
C24 bile acids, alcohols, and derivatives [ST0401]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
6875384

$$$$