LMST05030016
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    6.7326    6.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9862    8.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9808   10.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1201    9.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1288    8.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8507    9.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8473    8.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5686    8.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5721    9.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7131   10.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835    9.3063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8193   10.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7024   11.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5589   11.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7144   12.2668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3977   11.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2400   11.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0788   11.2836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8462    7.8664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2733    8.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2733    7.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1288    6.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9862    7.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4234    8.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5733    8.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5733    7.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4234    6.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2733    9.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5613   10.7001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9447   11.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1288    7.8424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2733    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2435   12.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8358    6.8507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9306   11.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7788   11.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6306   11.7657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7755   10.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  6  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  7  8  1  0  0  0  0
  2 11  1  1  0  0  0
  6 12  1  1  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  1  6  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  2  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 20 28  1  1  0  0  0
 10 29  1  6  0  0  0
 13 30  1  6  0  0  0
  5 31  1  6  0  0  0
 21 32  1  1  0  0  0
 26  1  1  6  0  0  0
 17 33  2  0  0  0  0
 23 34  1  1  0  0  0
 18 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
M  END
> <LM_ID>
LMST05030016

> <COMMON_NAME>
Glycoursodeoxycholic acid

> <SYSTEMATIC_NAME>
N-(3alpha,7beta-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>
Glycoursodeoxycholate; Ursodeoxycholylglycine; GUDCA

> <INCHI_KEY>
GHCZAUBVMUEKKP-XROMFQGDSA-N

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

> <SMILES>
O[C@H]1C[C@@]2([H])C[C@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)([H])CCC(=O)NCC(=O)O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000708

> <CHEBI_ID>
89929

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

> <CAYMAN_ID>
21698

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12310288

> <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>
-

> <CITATION>
-

$$$$