1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphate
PubChem CID: 24779559
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| Compound Synonyms | 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphate, Phosphatidic acid(36:2), PA(18:0/18:2), PA(18:0/18:2(9Z,12Z)), Phosphatidic acid(18:0/18:2), Phosphatidic acid(18:0/18:2n6), 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate, PA(36:2), PA(18:0/18:2n6), CHEBI:77248, PA(18:0/18:2omega6), 1-18:0-2-18:2-phosphatidic acid, Phosphatidic acid(18:0/18:2omega6), 18:0-18:2 PA, 18:0-18:2-PA, 1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphate, (2R)-1-(phosphonooxy)-3-(stearoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate, (2R)-3-(octadecanoyloxy)-1-(phosphonooxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate, [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] octadecanoate, 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[(1-oxooctadecyl)oxy]methyl]-2-(phosphonooxy)ethyl ester, ((2R)-2-((9Z,12Z)-octadeca-9,12-dienoyl)oxy-3-phosphonooxypropyl) octadecanoate, ((2R)-2-((9Z,12Z)-octadeca-9,12-dienoyloxy)-3-(octadecanoyloxy)propoxy)phosphonic acid, [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propoxy]phosphonic acid, 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-(((1-oxooctadecyl)oxy)methyl)-2-(phosphonooxy)ethyl ester, SCHEMBL233778, LMGP10010036, Phosphatidic acid(18:0/18:2w6), PA(18:0/18:2w6), PA(18:0_18:2), Q27146835, 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-phosphatidic acid |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 48.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 838.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] octadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 13.5 |
| Molecular Formula | C39H73O8P |
| Prediction Swissadme | 0.0 |
| Inchi Key | QYYWMYCDFOLKKH-DAKWMOBOSA-N |
| Fcsp3 | 0.8461538461538461 |
| Logs | -2.184 |
| Rotatable Bond Count | 38.0 |
| Logd | 3.733 |
| Compound Name | 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 700.504 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 700.504 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 701.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -10.176769799999999 |
| Inchi | InChI=1S/C39H73O8P/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/h12,14,18,20,37H,3-11,13,15-17,19,21-36H2,1-2H3,(H2,42,43,44)/b14-12-,20-18-/t37-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agathosma Scaberula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Balanophora Harlandii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Euphorbia Biglandulosa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lupinus Cosentinii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Polemonium Caeruleum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Strychnos Ledermannii (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Viburnum Davidii (Plant) Rel Props:Source_db:cmaup_ingredients