LMST01010005
LIPDMAPS04301223002D
41 44 0 0 0 0 0 0 0 0999 V2000
9.1152 6.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1107 7.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3919 7.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3991 6.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8372 7.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8343 6.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2718 6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2748 7.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5575 7.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1130 7.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8110 8.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5485 8.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2638 9.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5585 9.4813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9643 8.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6679 9.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3684 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8333 5.8063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6847 6.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6847 5.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3991 4.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1152 5.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9748 6.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2649 6.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2649 5.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9748 4.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6847 7.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5551 4.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2658 8.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9157 9.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3991 5.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8861 8.3612 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0
9.6842 5.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0718 9.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6624 9.7721 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0
14.7809 9.4724 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0
14.4812 8.3539 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0
13.3684 7.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1872 7.8404 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0
13.3684 7.0217 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0
12.5496 7.8404 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 6 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
5 6 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
6 7 1 0 0 0 0
1 10 1 1 0 0 0
5 11 1 1 0 0 0
9 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 1 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
6 18 1 6 0 0 0
4 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
19 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
26 20 1 0 0 0 0
19 27 1 1 0 0 0
25 28 1 1 0 0 0
9 29 1 6 0 0 0
12 30 1 6 0 0 0
4 31 1 6 0 0 0
17 32 1 0 0 0 0
22 33 2 0 0 0 0
17 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
34 37 1 0 0 0 0
17 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 1 0 0 0 0
38 41 1 0 0 0 0
M STY 2 1 SUP 2 SUP
M SAL 1 4 34 35 36 37
M SBL 1 1 37
M SMT 1 CD3
M SAL 2 4 38 39 40 41
M SBL 2 1 41
M SMT 2 CD3
M END
> <LM_ID>
LMST01010005
> <COMMON_NAME>
7-oxocholesterol(d7)
> <SYSTEMATIC_NAME>
7-oxo-cholest-5-en-3beta-ol(d7)
> <FORMULA>
C27H37D7O2
> <MASS>
407.38
> <CATEGORY>
Sterol Lipids [ST]
> <MAIN_CLASS>
Sterols [ST01]
> <SUB_CLASS>
Cholesterol and derivatives [ST0101]
> <SYNONYMS>
-
> <KEGG_ID>
-
> <HMDB_ID>
HMDB00501
> <CHEBI_ID>
-
> <METABOLOMICS_ID>
-
> <PUBCHEM_SUBSTANCE_ID>
4266366
> <LIPIDBANK_ID>
-
> <LIPIDAT_ID>
-
> <STATUS>
Active
> <REFS>
-
> <LIPID_MAPS_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMST01010005
$$$$
LMST01010001
LIPDMAPS04301223002D
33 36 0 0 0 0 0 0 0 0999 V2000
9.0635 6.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0590 8.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3505 7.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3577 6.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7751 7.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7722 6.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1892 6.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1921 7.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4850 8.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0612 7.2698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7492 8.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4762 8.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1812 9.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4861 9.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8717 8.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5651 9.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2556 8.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9489 9.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7713 6.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2556 8.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6535 6.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6535 5.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3577 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0635 5.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9538 6.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2541 6.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2541 5.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9538 5.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6535 7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5544 5.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1832 8.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8525 9.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3577 6.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 6 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
5 6 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
6 7 1 0 0 0 0
1 10 1 1 0 0 0
5 11 1 1 0 0 0
9 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 1 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
6 19 1 6 0 0 0
17 20 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
21 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 22 1 0 0 0 0
21 29 1 1 0 0 0
27 30 1 1 0 0 0
9 31 1 6 0 0 0
12 32 1 6 0 0 0
4 33 1 6 0 0 0
M END
> <LM_ID>
LMST01010001
> <COMMON_NAME>
Cholesterol
> <SYSTEMATIC_NAME>
cholest-5-en-3beta-ol
> <FORMULA>
C27H46O
> <MASS>
386.35
> <CATEGORY>
Sterol Lipids [ST]
> <MAIN_CLASS>
Sterols [ST01]
> <SUB_CLASS>
Cholesterol and derivatives [ST0101]
> <SYNONYMS>
Cholesterol; Cholest-5-en-3-ol; (3beta)-Cholest-5-en-3-ol; Cholesteryl alcohol
> <KEGG_ID>
C00187
> <HMDB_ID>
HMDB00067
> <CHEBI_ID>
16113
> <METABOLOMICS_ID>
-
> <PUBCHEM_SUBSTANCE_ID>
4266362
> <LIPIDBANK_ID>
SST9061
> <LIPIDAT_ID>
-
> <STATUS>
Active
> <REFS>
-
> <LIPID_MAPS_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMST01010001
$$$$