Showing NP-Card for 1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate (NP0337643)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2024-09-11 11:44:45 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-11 11:44:46 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0337643 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | 1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | 1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate was first documented in 2022 (PMID: 35586248). Based on a literature review very few articles have been published on 1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0337643 (1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate)
Mrv2104 05262314162D
48 47 0 0 0 0 999 V2000
-11.6230 -0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7879 8.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5393 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7042 7.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7867 0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9516 6.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7031 1.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8680 6.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9505 1.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1154 5.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8669 2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0318 4.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1143 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2792 4.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0307 3.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1956 3.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2781 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4430 3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6091 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7740 3.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8565 4.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0214 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3524 4.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4349 3.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5998 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7659 3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9308 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0133 3.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1782 3.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3443 3.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0946 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5917 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3420 2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5012 2.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3351 4.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2514 3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9228 3.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6730 3.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0064 2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7566 4.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9920 5.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3505 5.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2549 6.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 3.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 4.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9204 2.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1713 5.3104 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3 1 1 0 0 0 0
4 2 1 0 0 0 0
5 3 1 0 0 0 0
6 4 1 0 0 0 0
7 5 1 0 0 0 0
8 6 1 0 0 0 0
9 7 1 0 0 0 0
10 8 1 0 0 0 0
11 9 1 0 0 0 0
12 10 1 0 0 0 0
13 11 2 0 0 0 0
14 12 2 0 0 0 0
15 13 1 0 0 0 0
16 14 1 0 0 0 0
17 15 1 0 0 0 0
18 16 1 0 0 0 0
19 17 2 0 0 0 0
20 18 2 0 0 0 0
21 19 1 0 0 0 0
22 20 1 0 0 0 0
23 21 1 0 0 0 0
24 22 1 0 0 0 0
25 23 1 0 0 0 0
26 24 1 0 0 0 0
27 25 1 0 0 0 0
28 26 1 0 0 0 0
29 27 1 0 0 0 0
30 28 1 0 0 0 0
31 29 1 0 0 0 0
32 30 1 0 0 0 0
33 31 1 0 0 0 0
34 32 1 0 0 0 0
37 35 1 0 0 0 0
37 36 1 0 0 0 0
38 33 1 0 0 0 0
39 34 1 0 0 0 0
40 38 2 0 0 0 0
41 39 2 0 0 0 0
45 35 1 0 0 0 0
45 38 1 0 0 0 0
46 36 1 0 0 0 0
47 37 1 0 0 0 0
47 39 1 0 0 0 0
48 42 1 0 0 0 0
48 43 1 0 0 0 0
48 44 2 0 0 0 0
48 46 1 0 0 0 0
M END
3D SDF for NP0337643 (1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate)
Mrv2104 05262314162D
48 47 0 0 0 0 999 V2000
-11.6230 -0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7879 8.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5393 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7042 7.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7867 0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9516 6.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7031 1.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8680 6.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9505 1.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1154 5.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8669 2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0318 4.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1143 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2792 4.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0307 3.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1956 3.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2781 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4430 3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6091 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7740 3.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8565 4.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0214 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3524 4.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4349 3.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5998 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7659 3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9308 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0133 3.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1782 3.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3443 3.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0946 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5917 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3420 2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5012 2.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3351 4.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2514 3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9228 3.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6730 3.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0064 2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7566 4.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9920 5.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3505 5.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2549 6.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 3.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 4.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9204 2.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1713 5.3104 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3 1 1 0 0 0 0
4 2 1 0 0 0 0
5 3 1 0 0 0 0
6 4 1 0 0 0 0
7 5 1 0 0 0 0
8 6 1 0 0 0 0
9 7 1 0 0 0 0
10 8 1 0 0 0 0
11 9 1 0 0 0 0
12 10 1 0 0 0 0
13 11 2 0 0 0 0
14 12 2 0 0 0 0
15 13 1 0 0 0 0
16 14 1 0 0 0 0
17 15 1 0 0 0 0
18 16 1 0 0 0 0
19 17 2 0 0 0 0
20 18 2 0 0 0 0
21 19 1 0 0 0 0
22 20 1 0 0 0 0
23 21 1 0 0 0 0
24 22 1 0 0 0 0
25 23 1 0 0 0 0
26 24 1 0 0 0 0
27 25 1 0 0 0 0
28 26 1 0 0 0 0
29 27 1 0 0 0 0
30 28 1 0 0 0 0
31 29 1 0 0 0 0
32 30 1 0 0 0 0
33 31 1 0 0 0 0
34 32 1 0 0 0 0
37 35 1 0 0 0 0
37 36 1 0 0 0 0
38 33 1 0 0 0 0
39 34 1 0 0 0 0
40 38 2 0 0 0 0
41 39 2 0 0 0 0
45 35 1 0 0 0 0
45 38 1 0 0 0 0
46 36 1 0 0 0 0
47 37 1 0 0 0 0
47 39 1 0 0 0 0
48 42 1 0 0 0 0
48 43 1 0 0 0 0
48 44 2 0 0 0 0
48 46 1 0 0 0 0
M END
> <DATABASE_ID>
NP0337643
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC
> <INCHI_IDENTIFIER>
InChI=1/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44)/b13-11+,14-12+,19-17+,20-18+
> <INCHI_KEY>
OBXRDFNCKFWKNY-WVZYQCMWNA-N
> <FORMULA>
C39H69O8P
> <MOLECULAR_WEIGHT>
696.947
> <EXACT_MASS>
696.47300618
> <JCHEM_ACCEPTOR_COUNT>
5
> <JCHEM_ATOM_COUNT>
117
> <JCHEM_AVERAGE_POLARIZABILITY>
81.74087237843732
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
2
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
{2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy}phosphonic acid
> <JCHEM_LOGP>
12.210115784
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2
> <JCHEM_PKA>
6.343234649149876
> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3174060830586427
> <JCHEM_PKA_STRONGEST_BASIC>
-6.744159310865214
> <JCHEM_POLAR_SURFACE_AREA>
119.36000000000003
> <JCHEM_REFRACTIVITY>
201.44220000000007
> <JCHEM_ROTATABLE_BOND_COUNT>
36
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxyphosphonic acid
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0337643 (1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate)HEADER PROTEIN 26-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-MAY-23 0 HETATM 1 C UNK 0 -21.696 -0.812 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 20.137 15.050 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -21.540 0.720 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 19.981 13.518 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -20.135 1.351 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 18.576 12.887 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -19.979 2.883 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 18.420 11.355 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -18.574 3.514 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 17.015 10.724 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -18.418 5.046 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 16.859 9.192 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -17.013 5.677 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 15.455 8.561 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -16.857 7.209 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 15.298 7.029 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -15.452 7.840 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 13.894 6.398 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -14.204 6.939 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 12.645 7.299 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -12.799 7.570 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 11.240 6.668 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -11.550 6.668 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 9.991 7.570 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -10.145 7.299 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 8.586 6.939 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -8.896 6.398 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 7.337 7.840 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -7.491 7.029 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 5.933 7.209 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -6.243 6.128 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 5.777 5.677 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.838 6.758 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 4.372 5.046 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.936 5.587 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 0.626 7.750 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 0.469 6.218 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -3.589 5.857 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 3.123 5.947 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 -3.745 4.325 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 3.279 7.480 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 3.718 9.757 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 0.654 10.069 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 2.342 11.445 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 -2.184 6.488 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 2.030 8.381 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 1.718 5.317 0.000 0.00 0.00 O+0 HETATM 48 P UNK 0 2.186 9.913 0.000 0.00 0.00 P+0 CONECT 1 3 CONECT 2 4 CONECT 3 1 5 CONECT 4 2 6 CONECT 5 3 7 CONECT 6 4 8 CONECT 7 5 9 CONECT 8 6 10 CONECT 9 7 11 CONECT 10 8 12 CONECT 11 9 13 CONECT 12 10 14 CONECT 13 11 15 CONECT 14 12 16 CONECT 15 13 17 CONECT 16 14 18 CONECT 17 15 19 CONECT 18 16 20 CONECT 19 17 21 CONECT 20 18 22 CONECT 21 19 23 CONECT 22 20 24 CONECT 23 21 25 CONECT 24 22 26 CONECT 25 23 27 CONECT 26 24 28 CONECT 27 25 29 CONECT 28 26 30 CONECT 29 27 31 CONECT 30 28 32 CONECT 31 29 33 CONECT 32 30 34 CONECT 33 31 38 CONECT 34 32 39 CONECT 35 37 45 CONECT 36 37 46 CONECT 37 35 36 47 CONECT 38 33 40 45 CONECT 39 34 41 47 CONECT 40 38 CONECT 41 39 CONECT 42 48 CONECT 43 48 CONECT 44 48 CONECT 45 35 38 CONECT 46 36 48 CONECT 47 37 39 CONECT 48 42 43 44 46 MASTER 0 0 0 0 0 0 0 0 48 0 94 0 END SMILES for NP0337643 (1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate)CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC INCHI for NP0337643 (1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate)InChI=1/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44)/b13-11+,14-12+,19-17+,20-18+ 3D Structure for NP0337643 (1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C39H69O8P | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 696.9470 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 696.47301 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | {2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy}phosphonic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxyphosphonic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44)/b13-11+,14-12+,19-17+,20-18+ | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | OBXRDFNCKFWKNY-WVZYQCMWNA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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