Geranylgeranic acid
PubChem CID: 5275521
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| Compound Synonyms | Geranylgeranoic acid, Geranylgeranic acid, 83807-40-3, (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid, CHEBI:84971, (2E,6E,10E)-geranylgeranic acid, 35750-48-2, 2,6,10,14-Hexadecatetraenoicacid, 3,7,11,15-tetramethyl-, 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid, 2,6,10,14-Hexadecatetraenoic acid, 3,7,11,15-tetramethyl-, Geranylgeranate, starbld0008406, SCHEMBL430557, CHEMBL171326, SCHEMBL16221387, SZNLKILVMCHHSD-OZFNKYQOSA-N, AKOS040755401, CCG-208213, NCGC00163653-01, SR-05000002342, SR-05000002342-2, Q27158232, 3,7,11,15-tetramethyl-(2E,6E,10E,14E)-hexadecatetraenoic acid, 2,6,10,14-Hexadecatetraenoic acid, 3,7,11,15-tetramethyl-, (Z,E,E)-, 2,6,10,14-Hexadecatetraenoic acid, 3,7,11,15-tetramethyl-, (2E,6E,10E)- |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02791, O97447, Q92830, P11473, O42275, P81908 |
| Iupac Name | (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C20H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SZNLKILVMCHHSD-OZFNKYQOSA-N |
| Fcsp3 | 0.55 |
| Logs | -4.684 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.805 |
| Compound Name | Geranylgeranic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.3580388 |
| Inchi | InChI=1S/C20H32O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h9,11,13,15H,6-8,10,12,14H2,1-5H3,(H,21,22)/b17-11+,18-13+,19-15+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C(=O)O)/C)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all