2-Monoolein
PubChem CID: 5319879
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| Compound Synonyms | 2-Monoolein, 2-Oleoylglycerol, 3443-84-3, 2-Monooleoylglycerol, 2-oleoyl-glycerol, 2-Glyceryl monooleate, Glyceryl 2-oleate, Glycerol 2-monooleate, 2-OG, 1,3-dihydroxypropan-2-yl oleate, sn-2-monoolein, .beta.-Monoolein, 1,3-dihydroxypropan-2-yl (Z)-octadec-9-enoate, UNII-9A2389K694, 2-oleoyl glycerol, 1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate, 2-mono-C18:1, MG(0:0/18:1(9Z)/0:0), CHEBI:73990, 2-(9Z-octadecenoyl)-sn-glycerol, 9A2389K694, Olein, 2-mono-, 2-oleyl glycerol ether, 2-Oleoyl glycerol ether, 2-oleoylglycerol (2OG), DSSTox_CID_7875, .beta.-Glyceryl monooloeate, DSSTox_RID_78598, DSSTox_GSID_27875, SCHEMBL16172, 2-(9Z)-octadecenoylglycerol, 2-Oleoylmonoglycerol (2-OG), 2-(9Z-octadecenoyl)-glycerol, GTPL5112, 1,3-dihydroxypropan-2-yloleate, CHEMBL3182200, DTXSID8058661, 2-Oleoyl Glycerol (80per cent), 2-(9Z-octadecenoyl)-rac-glycerol, BDBM197165, 2-Oleoylglycerol, >=94% (TLC), Tox21_303545, 9-Octadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester, LMGL01010024, MFCD00171536, AKOS027320617, MAG(0:0/18:1n9), MAG(0:0/18:1w9), CS-W011837, HY-W011121, MG(0:0/18:1n9), MG(0:0/18:1w9), NCGC00257408-01, AS-77989, PD018141, CAS-25496-72-4, NS00051170, F85613, Q2813830, BRD-K77087341-001-02-4, 2-Hydroxy-1-(hydroxymethyl)ethyl (9Z)-9-octadecenoate, 9-OCTADECENOIC ACID (9Z)-, 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL ESTER, 2OG, YOG |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Description | 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed 'alpha-monoacylglycerols', while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well., MG(0:0/18:1(9Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | Q99685, Q3SYC2, Q96PD6, Q86VF5, Q9NPH0, Q6UWR7 |
| Uniprot Id | n.a., P0DTD1, P04792, Q03181 |
| Iupac Name | 1,3-dihydroxypropan-2-yl (Z)-octadec-9-enoate |
| Prediction Hob | 0.0 |
| Class | Glycerolipids |
| Xlogp | 6.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoradylglycerols |
| Molecular Formula | C21H40O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UPWGQKDVAURUGE-KTKRTIGZSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -3.687 |
| Rotatable Bond Count | 19.0 |
| State | Solid |
| Logd | 3.721 |
| Synonyms | &alpha, -monoolein, 1-(cis-9-Octadecenoyl)-rac-glycerol, 1-Glyceryl oleate, 1-Mono(cis-9-octacenoyl)glycerol, 1-Monoolein, 1-Monooleoyl-rac-glycerol, 1-Monooleoylglycerol, 1-Oleoyl-rac-glycerol, 1-Oleoylglycerol, 1-Oleylglycerol, 1,2,3-Propanetriol mono((Z)-9-octadecenoate), 1,3-Dihydroxypropan-2-yl oleate, 1,3-Dihydroxypropan-2-yl oleic acid, 2-(9Z-Octadecenoyl)-glycerol, 2-(9Z-octadecenoyl)-rac-glycerol, 2-Glyceryl monooleate, 2-Glyceryl monooleic acid, 2-Mono-C18:1, 2-Monoolein, 2-Monooleoylglycerol, 2-OG, 2-oleoyl-glycerol, 2,3-Dihydroxypropyl (9Z)-9-octadecenoate, 2,3-dihydroxypropyl oleate, 9-Octadecenenoic acid (Z)-, 2,3-dihydroxypropyl ester, 9-Octadecenoic acid (9Z)-, 2,3-dihydroxypropyl ester, 9-Octadecenoic acid (9Z)-, 2,3-dihydroxypropyl ester (9CI), 9-Octadecenoic acid (Z)-, 2,3-dihydroxypropyl ester, 9-Octadecenoic acid (Z)-, 2,3-dihydroxypropyl ester (9CI), 9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol, 9-Octadecenoic acid, 2,3-dihydroxypropyl ester, 9-octadecenoic acid, 2,3-dihydroxypropyl ester, (9Z)-, 9-Octadecenoic acid, monoester with 1,2,3-propanetriol, Ablunol gmo, Adchem gmo, Ajax gmo, Aldo 40, Aldo hmo, Aldo mo, Aldo mo-FG, Alkamuls GMO 45LG, Alpha-monoolein, Arlacel 129, Canamex Glicepol 182, Capmul gmo, Danisco MO 90, Dimodan GMO 90, Dimodan LSQK, Dimodan MO 90, DL-&alpha, -monoolein, DL-a-monoolein, DL-alpha-monoolein, Dur-EM 114, Dur-Em 204, Edenor gmo, Emalsy mo, Emalsy ol, Emasol MO 50, Emcol o, Emerest 2400, Emerest 2421, Emery oleic acid ester 2221, Emrite 6009, Emuldan RYLO-MG 90, Excel O 95F, Excel O 95N, Excel O 95R, Glycerin 1-monooleate, Glycerin monooleate, Glycerine monooleate, Glycerol &alpha, -cis-9-octadecenate, Glycerol &alpha, -monooleate, Glycerol 1-monooleate, Glycerol 1-oleate, Glycerol alpha-cis-9-octadecenate, Glycerol alpha-monooleate, Glycerol monooleate, Glycerol oleate, Glycerol-1-oleate, Glycerol, 1-mono (9-octa-decenoate), Glyceryl cis-9-octadecenoate, Glyceryl monooleate (van), Glycolube 100, Harowax L 9, Kemester 2000, Kessco gmo, Loxiol G 10, MAG(0:0/18:1N9), MAG(0:0/18:1W9), MAG(18:1), Mazol 300 K, Mazol gmo, MG(0:0/18:1(9Z)/0:0), MG(0:0/18:1N9), MG(0:0/18:1W9), MG(18:1), Monoglyceryl oleate, Monomuls 90-O18, Monoolein, Monoolein (van), Monooleoylglycerol, Oleic acid glycerol monoester, Oleic acid monoglyceride, Oleic acid, monoester with glycerol, Oleic monoglyceride, Olein, 1-mono-, Olein, 1-mono- (8CI), Olein, mono-, Oleoylglycerol, Oleylmonoglyceride, Olicine, Peceol, rac-1-Monoolein, rac-1-Monooleoylglycerol, rac-Glycerol 1-monooleate, Radiasurf 7150, Rikemal O 71D, Rikemal ol 100, Sinnoester ogc, Sunsoft O 30B, Supeol, UNII-9a2389k694, Witconol 2421 |
| Substituent Name | 2-acyl-sn-glycerol, Fatty acid ester, Fatty acyl, Saccharide, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Compound Name | 2-Monoolein |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.6710914 |
| Inchi | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Nevadense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alseodaphne Corneri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Annona Impressivenia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Bersama Yangambiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Castanopsis Sclerophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Conocephalum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cordylanthus Kingii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Croton Cumingii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Disynaphia Halimifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Doodia Picta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Eragrostis Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Forsteronia Refracta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Fridericia Chica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Grewia Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Gymnocarpium Robertianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Heliotropium Floridum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Heterotheca Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Hovenia Acerba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Kaempferia Marginata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Kaunia Saltensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Narcissus Concolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Nauclea Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Oncoba Echinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Ruta Pinnata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Salvia Dorrii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Sophora Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
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FOUND_INto/from Teucrium Depressum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Thymus Piperella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Trichilia Rubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all