1-Palmitoyl-2-oleoyl-rac-glycerol
PubChem CID: 6026790
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| Compound Synonyms | Diacylglycerol, 1-(hexadecanoyloxy)-3-hydroxypropan-2-yl-octadec-9-enoate, SCHEMBL638396, AS-86688, NS00126873 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Diacylglycerols |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCC/C=C/CCCCCCCC)))))))))))))))))))CO |
| Heavy Atom Count | 42.0 |
| Classyfire Class | Glycerolipids |
| Classyfire Subclass | Diradylglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 603.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P52824, P16233, Q9NQ66, Q15147, Q00722, P49619, P11150, Q01970, P16885, Q9NST1, P23743, Q16760, P52429, P07098, O14494, Q9Y6T7, Q9Y5X9, O75912, P19835, O14495, O75907, P19174, P54317, Q13574, P51178, P06858, Q99999, Q99714, Q05469, P22760, Q8NHU3, Q86VZ5, Q9NYA1, Q92604, P17252, P22455, P35968, Q9Y5P4, P21802, P07333, P16234, P22607, P05771, P09769, P09619, P11362, P17948, Q15139, P05129, P10721, Q05655, O94806, Q04759, P24723, O75038, Q02156, P55058, Q13507, Q3SYC2, P41247, O60331, Q86XP1, Q9BRC7, Q4KWH8, Q9P212, Q8N3E9, Q96PD7, Q96PD6, Q8NCG7, Q86VF5, Q5KSL6, Q9BZL6, Q6P1J6, Q643R3, Q5VZY2, Q8NEB5, O00562, Q86YW0, Q96AD5, O95267, Q9Y210, Q9HCX4, Q9UPW8, O14795, Q8NB66, Q8TDF6, Q53H12, O95476, Q17RR3, Q9NSN8, Q14693, Q92539, Q9BQK8, Q38E53, P21581, Q4E4I4, B3A0M2, Q38E55, Q6A8U1, Q95JS1, B3A0M1, B3A0M0, Q8N8W4, Q5FX52, P21671, Q91ZV4, Q38E56, E9AFX2, Q9NPA3, Q9ZLE0, P20786, Q61469, Q99755, Q05030, Q8K4D7, P81139, P17892, P0C216, B3A0L9, P21583, Q38E54, P0CO60, Q8N6M3, O95870, Q99PG0, A5D6W6, Q1DZE0, Q7ZW00, A6REI4, Q5M7Y0, P20192, P0CO61, Q4L7L1, Q9DCV3, Q9ERM3, Q9QZH8, Q9Z2A7, Q8R5I4, O75366, P08910, Q9Z1Q2, D3ZEY4, P05126, D4B1N9, Q7TNN8, P40600, Q8N9A8, Q7Z6Z6, Q9Z1S3, Q90Z00, Q4L524, P05128, Q0TV31, O14986, P17573, Q4L4E9 |
| Iupac Name | (1-hexadecanoyloxy-3-hydroxypropan-2-yl) (E)-octadec-9-enoate |
| Class | Glycerolipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Diradylglycerols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C37H70O5 |
| Inchi Key | YEJYLHKQOBOSCP-ISLYRVAYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 35.0 |
| Synonyms | diacylglycerol |
| Esol Class | Insoluble |
| Functional Groups | C/C=C/C, CO, COC(C)=O |
| Compound Name | 1-Palmitoyl-2-oleoyl-rac-glycerol |
| Kingdom | Organic compounds |
| Exact Mass | 594.522 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 594.522 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 594.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17+ |
| Smiles | CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C/CCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | 1,2-diacylglycerols |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Cuminum Cyminum (Plant) Rel Props:Reference:ISBN:9788171360536