Asolectin
PubChem CID: 5287971
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| Compound Synonyms | LECITHIN, 17708-90-6, Soybean phospholipid, 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine, Azolectin, 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine, PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE, Soybean lecithin, [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, Phosphatidylcholine(16:0/18:2w6), PC(16:0/18:2(9Z,12Z)), PC(16:0/18:2n6), 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine, 1,2-Diacyl-sn-glycero-3-phosphocholine, 6UCA7I41S8, L-alpha-Lecithin, Phosphatidylcholine(16:0/18:2), GPCho(16:0/18:2), L-alpha-phosphatidylcholine, 1-Palmitoyl-2-linoleoyl-sn-glycero-phosphatidylcholine, 1-Palmitoyl-2-linoleoyl-3-sn-glycerophosphatidylcholine, Asolectin, 159701-21-0, PC 34:2, 3,5,8-Trioxa-4-phosphahexacosa-17,20-dien-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxohexadecyl)oxy)methyl)-, inner salt, 4-oxide, (7R,17Z,20Z)-, PC(16:0/18:2), 97281-47-5, 2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphocholine, Soybean lecithin fraction IV-S, Lecithin, bovine, Lecithin, Refined, (9Z,12Z)-1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine Solution in Chloroform, 1000ug/mL, LMGP01010594, MFCD00082428, Phosphatidylserine Powder, L-, A-Phosphatidylcholine, 16:0-18:2 PC, UNII-6UCA7I41S8, 1-palmitoyl-2-linoleoyl-GPC, L-alpha-1-Palmitoyl-2-linoleoylphosphatidylcholine, Soybean lecithin fraction IVS, SCHEMBL234615, L-aPhosphatidylcholine - ex Soy, CHEBI:73002, HY-B2235A, HY-B2235B, L-?-Phosphatidylcholine-from egg, GPCho(16:0/18:2omega6), JLPULHDHAOZNQI-ZTIMHPMXSA-N, PC(16:0/18:2omega6), DTXSID301334203, L-a-Phosphatidylcholine - PC 20, L-alpha-Phosphatidylcholine, 90%, HY-B2235, JGA70121, L-, A-Lecithin (egg yolk), 75%, MFCD00131449, 1-16:0-2-18:2-phosphatidylcholine, CS-7874, DB02306, FS-8120, MSK180966-1000S, Phosphatidylcholine(16:0/18:2omega6), 1-Palmitoyl-2-linoleoyl-sn-glycero-3-PC, 69279-91-0, FL168553, FL171315, FP168160, 1-palmitoyl-2-linoleoyl-phosphatidylcholine, GPC(16:0/18:2), HY-165029, phosphatidylcholine 16:0/18:2(9Z,12Z), 1ST180966-1000S, 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2), 16:0-18:2-PC, L-, A-Lecithin (egg yolk, Type XVI-E), 99%, Soy PC, L-alpha-phosphatidylcholine (Soy), powder, 1-Palmitoyl-2-linoleoyl-sn-glycerophosphatidylcholine, Q27105002, Soy PC, L-alpha-phosphatidylcholine (Soy), chloroform, L-.ALPHA.-1-PALMITOYL-2-LINOLEOYLPHOSPHATIDYLCHOLINE, Heart PC, L-alpha-phosphatidylcholine (Heart, Bovine), powder, 16:0-18:2 PC, 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine, chloroform, 16:0-18:2 PC, 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine, powder, 2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphocholine, >=97% (GC), >=99% (TLC), (2-{[3-(hexadecanoyloxy)-2-[octadeca-9.12-dienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium, (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate, (R)-2-(((9Z,12Z)-Octadeca-9,12-dienoyl)oxy)-3-(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate, (R)-2-((9Z,12Z)-Octadeca-9,12-dienoyloxy)-3-(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate, 602-938-1 |
|---|---|
| Topological Polar Surface Area | 111.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 52.0 |
| Description | Palmitoyl-linoleoyl phosphatidylcholine, also known as phosphatidylcholine(16:0/18:2) or pc(16:0/18:2), is a member of the class of compounds known as phosphatidylcholines. Phosphatidylcholines are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage. Thus, palmitoyl-linoleoyl phosphatidylcholine is considered to be a glycerophosphocholine lipid molecule. Palmitoyl-linoleoyl phosphatidylcholine is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Palmitoyl-linoleoyl phosphatidylcholine can be found in a number of food items such as wax gourd, rowanberry, arrowroot, and chicory leaves, which makes palmitoyl-linoleoyl phosphatidylcholine a potential biomarker for the consumption of these food products. Palmitoyl-linoleoyl phosphatidylcholine can be found primarily in blood, saliva, and urine, as well as throughout all human tissues. In humans, palmitoyl-linoleoyl phosphatidylcholine is involved in a couple of metabolic pathways, which include phosphatidylcholine biosynthesis PC(16:0/18:2(9Z,12Z)) and phosphatidylethanolamine biosynthesis PE(16:0/18:2(9Z,12Z)). Moreover, palmitoyl-linoleoyl phosphatidylcholine is found to be associated with schizophrenia. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 940.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Prediction Hob | 0.0 |
| Xlogp | 12.9 |
| Molecular Formula | C42H80NO8P |
| Prediction Swissadme | 0.0 |
| Inchi Key | JLPULHDHAOZNQI-ZTIMHPMXSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -2.887 |
| Rotatable Bond Count | 40.0 |
| Logd | 2.855 |
| Compound Name | Asolectin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 757.562 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 757.562 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 758.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -10.090065 |
| Inchi | InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)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 Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cibotium Barometz (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all