3-hydroxydecanoic acid, (3R)-
PubChem CID: 5312798
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| Compound Synonyms | (R)-3-Hydroxydecanoic acid, 19525-80-5, (3R)-3-Hydroxydecanoic acid, 3-Hydroxydecanoic acid, (3R)-, 3R-Hydroxycapric acid, D-beta-Hydroxydecanoic acid, D-3-Hydroxydecanoic acid, (-)-3-Hydroxydecanoic acid, 3-Hydroxydecanoic acid, (-)-, 3R-hydroxy-decanoic acid, Decanoic acid, 3-hydroxy-, (R)-, Decanoic acid, 3-hydroxy-, (3R)-, S9C0M293HU, D-.BETA.-HYDROXYDECANOIC ACID, (R)-3-Hydroxydecanoicacid, 3(R)-hydroxydecanoic acid, UNII-S9C0M293HU, 3-(R)-Hydroxydecanoic acid, SCHEMBL4747897, DTXSID70415602, CHEBI:171760, LMFA01050245, FH161450, Q27289079, 112-080-5 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Description | In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.(R)-3-Hydroxydecanoic acid is an intermediate in fatty acid biosynthesis. Specifically,(R)-3-Hydroxydecanoic acid is converted from 3-Oxodecanoic acid via two enzymes, fatty-acid Synthase and 3-oxoacyl- [acyl-carrier- protein] reductase.( EC:2.3.1.85 and EC:1.1.1.100) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | P49327 |
| Iupac Name | (3R)-3-hydroxydecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FYSSBMZUBSBFJL-SECBINFHSA-N |
| Fcsp3 | 0.9 |
| Logs | -2.268 |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Logd | 1.01 |
| Compound Name | 3-hydroxydecanoic acid, (3R)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 188.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 188.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0668554 |
| Inchi | InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m1/s1 |
| Smiles | CCCCCCC[C@H](CC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
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FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients