LMST03040003
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   11.2177    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2810    8.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2810    9.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2177    9.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    9.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    8.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0276    8.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0276    9.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0910    9.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   10.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0910   10.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2102   10.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8404   11.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5896   10.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3389   11.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0881   10.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8376   11.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0881    9.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    7.4027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9124   10.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0910   11.5331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3389   11.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3442    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3442    6.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2810    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2177    6.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    8.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4705    7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4705    6.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3442    8.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9081   12.4353    0.0000 C   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 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
 16 18  1  0  0  0  0
  1  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
 11 12  1  6  0  0  0
  6 19  1  6  0  0  0
  9 20  1  6  0  0  0
 11 21  1  1  0  0  0
 15 22  1  6  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26  1  2  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 24  1  0  0  0  0
 29 31  1  1  0  0  0
 23 32  1  1  0  0  0
 22 33  1  0  0  0  0
M  END
> <LM_ID>
LMST03040003

> <COMMON_NAME>
Provitamin D5

> <SYSTEMATIC_NAME>
Poriferasta-5,7-dien-3beta-ol

> <FORMULA>
C29H48O

> <MASS>
412.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D5 and derivatives [ST0304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(3S,24S)-24-ethyl-5,7-cholestadien-3-ol

> <INCHI_KEY>
ARVGMISWLZPBCH-JPCZDRPASA-N

> <INCHI>
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3/t20-,21+,23+,25-,26+,27?,28+,29-/m1/s1

> <SMILES>
C12=CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@]1(C)[C@@]([H])([C@]([H])(C)CC[C@H](CC)C(C)C)CC[C@]12[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547701

> <LIPIDBANK_ID>
VVD0504

> <ALT_CATEGORIES>
Sterol Lipids [ST]

> <ALT_MAIN_CLASSES>
Sterols [ST01]

> <ALT_SUB_CLASSES>
Stigmasterols and C24-ethyl derivatives [ST0104]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$