ChEBI


 32 35  0  0  1  0  0  0  0  0 25 V2000
   10.5248   -9.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3682   -9.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3682  -11.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5248  -11.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6441  -11.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7883  -11.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9573  -11.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9573   -9.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7883   -9.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6441   -9.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7883   -7.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9573   -7.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0766   -7.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0766   -9.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3326   -9.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0788   -8.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3326   -7.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0766   -6.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6441   -8.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3326   -6.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1263   -4.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5017   -5.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6334   -5.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7651   -5.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0766  -10.4189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7883  -10.4189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4892   -6.7377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8620   -5.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8620   -7.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9007   -5.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6407  -12.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1953  -11.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
  8 14  1  0  0  0  0
 15 14  1  0  0  0  0
 14 25  1  6  0  0  0
 11  9  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 26  1  6  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 27  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
 22 20  1  0  0  0  0
 20 21  1  6  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
  5 31  1  6  0  0  0
  3 32  1  1  0  0  0
M  ZZC   1 1
M  ZZC   2 2
M  ZZC   3 3
M  ZZC   4 4
M  ZZC   5 5
M  ZZC   6 6
M  ZZC   7 7
M  ZZC   8 8
M  ZZC   9 9
M  ZZC  10 10
M  ZZC  11 11
M  ZZC  12 12
M  ZZC  13 13
M  ZZC  14 14
M  ZZC  15 15
M  ZZC  16 16
M  ZZC  17 17
M  ZZC  18 18
M  ZZC  19 19
M  ZZC  20 20
M  ZZC  21 21
M  ZZC  22 22
M  ZZC  23 23
M  ZZC  24 24
M  END
> <ID>
CHEBI:17168

> <NAME>
5alpha-cholest-7-en-3beta-ol

> <DEFINITION>
A cholestanoid that is (5α)-cholest-7-ene substituted by a β-hydroxy group at position 3.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12169; CHEBI:2138; CHEBI:20643

> <SYNONYM>
lathosterol; Lathosterol; gamma-Cholesterol; 5alpha-Cholest-7-en-3beta-ol; 5alpha-cholest-7-en-3beta-ol; 5alpha-Cholest-7-en-3beta-ol; 5alpha-cholest-7-en-3beta-ol

> <FORMULA>
C27H46O

> <MASS>
386.65354

> <MONOISOTOPIC_MASS>
386.35487

> <CHARGE>
0

> <SMILES>
[H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2

> <INCHI>
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1

> <INCHIKEY>
IZVFFXVYBHFIHY-SKCNUYALSA-N

> <CAS_REGISTRY_NUMBER>
80-99-9

> <REAXYS_REGISTRY_NUMBER>
3215566

> <CHEMIDPLUS>
80-99-9

> <KEGG_COMPOUND_ACCESSION>
C01189

> <KNAPSACK_ACCESSION>
C00023744

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST01010089

> <WIKIPEDIA_ACCESSION>
Lathosterol

> <PUBMED_CITATION>
12812989; 14511438

$$$$