Traumatic Acid
PubChem CID: 5283028
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| Compound Synonyms | Traumatic acid, 6402-36-4, Dodec-2-enedioic acid, trans-2-dodecenedioic acid, trans-Traumatic acid, (E)-dodec-2-enedioic acid, 2-Dodecenedioic acid, 2E-dodecenedioic acid, 2-Dodecenedioic acid, (E)-, Traumatate, 2-dodecendioate, Trans-traumatate, Dodecanedioic acid-2-ene, (2E)-Dodecenedioic acid, 2-Dodecenedioate, 2E-dodecenedioate, dodec-2-enedioate, dodec-2c-enedioate, dodec-2t-enedioate, (2E)-dodec-2-enedioic acid, 2-dodecendioic acid, UNII-L7ND24937H, TRAUMATICACID, trans-2-dodecenedioate, (Z)-2-dodecenedioate, dodec-2c-enedioic acid, dodec-2t-enedioic acid, CHEBI:545687, L7ND24937H, 2-dodecene-1,12-dicarboxylic acid, NSC 8125, EINECS 229-019-4, (Z)-2-dodecenedioic acid, TRAUMATIC ACID [MI], trans-2-Dodecene-dioic acid, DTXSID00863778, NSC-8125, 1-Decene-1,10-dicarboxylic acid, 2-Dodecenedioic acid, (2E)-, 124-00-5, NSC8125, Traumatinate, trau-matic acid, (E)-2-Dodecenedioic Acid, trans-2-Dodecenedioic Acid, trans-Traumatic Acid, (2E)-Dodecenedioate, 2(E)-dodecenedioic acid, SCHEMBL38779, CHEMBL470062, (2E)-2-Dodecenedioic acid #, FEMA NO. 4944, DTXCID30909390, HMS3649M22, trans-2-Dodecene-1,12-dioic Acid, LMFA01170002, MFCD00004443, AKOS028109062, FD106327, LS-14128, DB-257149, HY-119358, CS-0067597, D0029, S6163, SR-01000946624, Q7835820, SR-01000946624-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Dicarboxylic acids |
| Deep Smiles | OC=O)CCCCCCCC/C=C/C=O)O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Description | Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. [HMDB] |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 233.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-dodec-2-enedioic acid |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H20O4 |
| Inchi Key | MAZWDMBCPDUFDJ-VQHVLOKHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Synonyms | (2e)-Dodecenedioate, (2e)-Dodecenedioic acid, (Z)-2-dodecenedioate, (Z)-2-dodecenedioic acid, 1-Decene-1,10-dicarboxylic acid, 2-dodecendioate, 2-dodecendioic acid, 2-Dodecenedioate, 2-Dodecenedioic acid, 2E-dodecenedioate, 2E-dodecenedioic acid, dodec-2-enedioate, dodec-2-enedioic acid, dodec-2c-enedioate, dodec-2c-enedioic acid, dodec-2t-enedioate, dodec-2t-enedioic acid, Dodecanedioic acid, Dodecanedioic acid-2-ene, trans-2-dodecenedioate, trans-2-dodecenedioic acid, Trans-traumatate, Trans-traumatic acid, Traumatate, (2E)-Dodecenedioic acid, 2E-Dodecenedioic acid, Dodec-2-enedioic acid, trans-2-Dodecenedioic acid, (2E)-Dodecenedioate, 2E-Dodecenedioate, Dodec-2-enedioate, trans-2-Dodecenedioate, (Z)-2-Dodecenedioate, (Z)-2-Dodecenedioic acid, 2-Dodecendioate, 2-Dodecendioic acid, Dodec-2C-enedioate, Dodec-2C-enedioic acid, Dodec-2t-enedioate, Dodec-2t-enedioic acid, Dodecanedioate, trans-Traumatate, trans-Traumatic acid, 2-Dodecene-1,12-dicarboxylic acid, trans-traumatic acid |
| Substituent Name | Medium-chain fatty acid, Unsaturated fatty acid, Dicarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C(=O)O, CC(=O)O |
| Compound Name | Traumatic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 228.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 228.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+ |
| Smiles | C(CCCCC(=O)O)CCC/C=C/C(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Prunella Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644102