Mrv1652309121723102D
20 19 0 0 0 0 999 V2000
4.4395 -0.3017 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.6168 -0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2659 -0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4361 0.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4361 -1.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9037 0.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1907 -0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4775 0.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7646 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4742 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0514 0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7611 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4775 0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1907 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4844 0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9620 0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6752 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3915 0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1081 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3950 0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 2 0 0 0 0
2 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
8 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
M STY 1 1 SRU
M SCN 1 1 HT
M SAL 1 5 11 12 13 14 15
M SDI 1 4 -2.5848 -0.4697 -2.5848 0.3360
M SDI 1 4 0.3189 0.3360 0.3189 -0.4697
M SBL 1 2 10 15
M SMT 1 n
M END
> <DATABASE_ID>
FDB023901
> <DATABASE_NAME>
foodb
> <SMILES>
CC(CCOP(O)(O)=O)CC\C=C(/C)CCC=C(C)C
> <INCHI_IDENTIFIER>
InChI=1S/C15H29O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H2,16,17,18)/b14-9+
> <INCHI_KEY>
DZHSRPJGCZHWOM-NTEUORMPSA-N
> <FORMULA>
(C5H8)nC10H21O4P
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <ALOGPS_LOGP>
3.40
> <ALOGPS_LOGS>
-3.80
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
4.85e-02 g/l
> <FOODB_ID>
FDB023901
> <GENERIC_NAME>
Dolichol phosphate
$$$$