LMST04030179
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.0106    7.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2349    6.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2349    5.6956    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0106    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7867    5.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3386    5.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3386    6.5915    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5625    7.0395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7867    6.5915    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5625    7.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3386    8.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    7.9354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1143    7.0395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6663    7.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6663    7.9354    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8903    8.3835    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1143    8.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7867    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8903    9.1002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1606    9.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5110    9.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1317    9.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7525    9.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3732    9.1002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9939    9.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3732    8.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3386    7.3531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    6.3443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3927    8.6735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8903    9.8645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625    6.3591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3468    8.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6335    9.0892    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  2  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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  6  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
  8 28  1  1  0  0  0
 14 29  1  6  0  0  0
 17 30  1  6  0  0  0
 20 31  1  1  0  0  0
  9 32  1  6  0  0  0
  3 33  1  1  0  0  0
 16 34  1  6  0  0  0
 26 35  1  0  0  0  0
M  END
> <LM_ID>
LMST04030179

> <COMMON_NAME>
16alpha,27-dihydroxycholesterol

> <SYSTEMATIC_NAME>
(25R)-cholest-5-en-3beta,16alpha,27-triol

> <FORMULA>
C27H46O3

> <MASS>
418.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
16alpha,26-dihydroxycholesterol

> <INCHI_KEY>
NUHIVWGZNPMOCV-MTFAWMJCSA-N

> <INCHI>
InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,28-30H,5-7,9-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25+,26+,27+/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@H](C)CO)[C@H](O)C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
156183

> <ABBREVIATION>
ST 27:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931519

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$