LMST01010088
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.8923    7.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    6.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    5.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8923    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6722    5.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4522    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2323    5.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2323    6.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4522    7.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6722    6.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4522    7.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2323    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0121    7.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0121    7.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5722    7.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5722    7.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7922    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0121    8.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6722    7.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7922    9.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0587    9.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4162    9.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0401    9.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6641    9.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2880    9.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9120    9.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2880    8.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4250    9.1403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2323    7.3641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4352    6.2914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0121    6.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2973    8.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7922    9.8886    0.0000 H   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  6  0  0  0
 25 27  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 28  1  1  0  0  0
 26 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
M  END
> <LM_ID>
LMST01010088

> <COMMON_NAME>
27-hydroxy-cholesterol(25R)

> <SYSTEMATIC_NAME>
cholest-(25R)-5-en-3beta,26-diol

> <FORMULA>
C27H46O2

> <MASS>
402.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FYHRJWMENCALJY-YSQMORBQSA-N

> <INCHI>
InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,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)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
C06340

> <HMDB_ID>
HMDB0002103

> <CHEBI_ID>
76591

> <ABBREVIATION>
ST 27:1;O2

> <CAYMAN_ID>
14790

> <SWISSLIPIDS_ID>
SLM:000399821

> <PUBCHEM_COMPOUND_ID>
123976

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$