(2s)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate
PubChem CID: 12178130
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| Compound Synonyms | 1-Oleoyl-sn-glycerol, (2s)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate, 129784-87-8, 1-Oleylglycerol, [(2S)-2,3-dihydroxypropyl] (Z)-octadec-9-enoate, MAG(18:1), MG(18:1), MAG(18:1/0:0), MG(18:1/0:0), MG(18:1(9Z)/0:0/0:0), 1-Oleoyl-sn-glycerol (>90%), mono-oleoylglycerol, 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-oleoyl-glycerol, sn-glycerol 1-oleate, sn-1-monooleoylglycerol, 1-OG, SCHEMBL4398941, MAG(18:1omega9/0:0), MG(18:1omega9/0:0), CHEBI:75757, 1-(9Z-octadecenoyl)-sn-glycerol, MAG(18:1n9/0:0), MAG(18:1w9/0:0), HY-W698384, MG(18:1w9/0:0, MG(18:1n9/0:0), MG(18:1(omega-9)/0:0/0:0), NS00071946, Q27145531 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q99685, Q05469, Q3SYC2, Q96PD6, Q86VF5, Q9NPH0, Q53H12, Q6UWR7 |
| Iupac Name | [(2S)-2,3-dihydroxypropyl] (Z)-octadec-9-enoate |
| Prediction Hob | 0.0 |
| Class | Glycerolipids |
| Xlogp | 6.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoradylglycerols |
| Molecular Formula | C21H40O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RZRNAYUHWVFMIP-QJRAZLAKSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -3.795 |
| Rotatable Bond Count | 19.0 |
| State | Solid |
| Logd | 3.981 |
| Synonyms | 1-(9Z-Octadecenoyl)-sn-glycerol, 1-Monoolein, MAG(18:1), MAG(18:1/0:0), MAG(18:1omega9/0:0), MG(18:1(Omega-9)/0:0/0:0), MG(18:1), MG(18:1/0:0), MG(18:1Omega9/0:0), sn-1-Monooleoylglycerol, 1-(9Z)-Octadecenoyl-sn-glycerol, Glyceryl monooleate, Monolein, Monoolein, 1-Oleoyl monoglyceride, Glycerol monooleate, Glycerylmonooleate, mono-Oleoylglycerol, 1-Oleoyl-2-glycerol, Monoelaidin, Myverol 18-99, sn-1-O-(cis-9)Octadecenylglycerol, Oleic acid monoglyceride, 1-(9Z)-Octadecenoylglycerol, 1-(9Z-Octadecenoyl)-rac-glycerol, 1-Monooleoyl-rac-glycerol, 1-Monooleoylglycerol, 1-Oleoyl-rac-glycerol, 2,3-Dihydroxypropyl oleate, MG (18:1/0:0/0:0), 2,3-Dihydroxypropyl oleic acid, 1-(9Z-Octadecenoyl)-glycerol, 1-Glyceryl oleate, 1-mono(cis-9-Octacenoyl)glycerol, 1-Oleoylglycerol, 1-Oleylglycerol, 2,3-Dihydroxypropyl octadec-9-enoate, Glycerin 1-monooleate, Glycerol 1-(9Z-octadecenoate), Glycerol 1-monooleate, Glycerol 1-oleate, Glycerol alpha-cis-9-octadecenate, Glycerol alpha-monooleate, Glycerol α-cis-9-octadecenate, Glycerol α-monooleate, Monooleoylglycerol, alpha-Glyceryl monooloeate, alpha-Monoolein, rac-1-Monoolein, rac-1-Monooleoylglycerol, Α-glyceryl monooloeate, Α-monoolein, MG(18:1(9Z)/0:0/0:0) |
| Compound Name | (2s)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.293 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.293 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 356.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -4.8789914 |
| Inchi | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1 |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | 1-monoacylglycerols |
- 1. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients