Crotonic acid
PubChem CID: 637090
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CROTONIC ACID, 107-93-7, (E)-but-2-enoic acid, trans-2-Butenoic acid, 3724-65-0, trans-Crotonic acid, (E)-2-Butenoic acid, BUTENOIC ACID, 2-Butenoic acid, (E)-Crotonic acid, but-2-enoic acid, 3-Methylacrylic acid, (2E)-but-2-enoic acid, alpha-Butenoic acid, 2-butenoic acid, (2E)-, beta-Methylacrylic acid, alpha-Crotonic acid, Solid crotonic acid, beta-Methacrylic acid, 2-Butenoic acid, (E)-, Kyselina krotonova, Crotonic acid, (E)-, (2E)-2-Butenoic acid, NSC 8751, 2-Butenoate, 2E-butenoic acid, NSC 206946, Acrylic acid, 3-methyl-, NSC-8751, MFCD00002701, YW5WZZ4O5Q, CHEBI:41131, NSC8751, .alpha.-Crotonic acid, Crotonicacid, (2E)-2-butenoate, (E)-but-2-enoate, DTXCID507544, Kyselina krotonova [Czech], CH3CH=CHCOOH, CAS-3724-65-0, HSDB 2814, EINECS 203-533-9, EINECS 223-077-4, UNII-YW5WZZ4O5Q, UN2823, DTXSID7027544, CHEBI:17217, BRN 1098434, BRN 1719943, Crotonsaeure, Butenoate, a-butenoate, a-butenoic acid, a-crotonic acid, acide crotonique, AI3-06287, 2-Butenoicacid, 2-butenic acid, NSC-206946, UN 2823, (2E)-2-Butenoic acid, (E)-Crotonic acid, trans-2-Butenoic acid, trans-Crotonic acid, b-methacrylic acid, Crotonic acid, solid, Crotonic acid, liquid, E-but-2-enoic acid, 3-methyl-Acrylic acid, Crotonic acid, 98%, Crotonic acid, solid [UN2823] [Corrosive], EC 203-533-9, CROTONIC ACID [MI], CROTONIC ACID [HSDB], 4-02-00-01498 (Beilstein Handbook Reference), CROTONIC ACID, TRANS-, .BETA.-METHACRYLIC ACID, CHEMBL1213528, FEMA NO. 3908, DTXSID30880973, HY-Y1644, Tox21_201730, Tox21_303208, BBL027395, BDBM50427207, LMFA01030195, RB8002, STL146356, (E)-2-BUTENOIC ACID [FHFI], AKOS000119656, AT32243, DB02074, FC14803, FC34395, NCGC00249105-01, NCGC00257147-01, NCGC00259279-01, DB-029600, DB-029602, CS-0017976, NS00002825, EN300-19907, C01771, Crotonic acid, liquid [UN2823] [Corrosive], EN300-306935, A902650, Q414207, F2191-0211, Z104476026, (E)-2-Butenoic acid, (E)-Crotonic acid, trans-2-Butenoic acid, trans-Crotonic acid, NSC 8751 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Description | But-2-enoic acid is fatty acid formed by the action of fatty acid synthases from acetyl-CoA and malonyl-CoA precursors. It is involved in the fatty acid biosynthesis. Specifically, it is the product of reaction between (R)-3-Hydroxybutyric acid and fatty acid synthase. [HMDB]. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 73.6 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q8TDS4, Q9GZT4, Q99489, P14920 |
| Iupac Name | (E)-but-2-enoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Target Id | NPT645 |
| Xlogp | 0.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C4H6O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LDHQCZJRKDOVOX-NSCUHMNNSA-N |
| Fcsp3 | 0.25 |
| Logs | 0.373 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 0.783 |
| Synonyms | (2e)-2-Butenoate, (2e)-But-2-enoate, (e)-2-Butenoate, (e)-But-2-enoate, (e)-Crotonate, &alpha, -butenoic acid, 2-Butenoate, 3-Methyl-acrylic acid, 3-Methylacrylate, 3-Methylacrylic acid, a-Butenoate, a-Butenoic acid, a-Crotonate, a-Crotonic acid, Acrylic acid, 3-methyl-, alpha-Butenoate, Alpha-butenoic acid, alpha-Crotonate, b-Methacrylate, b-Methylacrylate, b-Methylacrylic acid, beta-Methacrylate, beta-Methylacrylate, but-2-enoic acid, Butenoate, Butenoic acid, Crotonate, Ethylideneacetic acid, Kyselina krotonova, Solid crotonic acid, trans-2-Butenoate, trans-Crotonate, α-butenoate, α-butenoic acid, α-crotonate, α-crotonic acid, β-methacrylate, β-methacrylic acid, β-methylacrylate, β-methylacrylic acid, (2E)-2-Butenoic acid, (2E)-but-2-enoic acid, (E)-2-Butenoic acid, (E)-but-2-enoic acid, (e)-crotonic acid, 2-Butenoic acid, (2E)-, 2-Butenoic acid, (E)-, 2-Butenoic acid, (E)- (9CI), Alpha-crotonic acid, b-Methacrylic acid, Beta-methacrylic acid, Beta-methylacrylic acid, Crotonic acid, Crotonic acid, (e)-, FEMA 3908, trans-2-Butenoic acid, Trans-crotonic acid, (e)-2-Butenoic acid, (e)-But-2-enoic acid, (e)-Crotonic acid, 2-Butenoic acid, alpha-Butenoic acid, alpha-Crotonic acid, BEO, beta-Methacrylic acid, beta-Methylacrylic acid, trans-Crotonic acid, (2E)-2-Butenoate, Α-butenoate, Α-butenoic acid, Α-crotonate, Α-crotonic acid, Β-methacrylate, Β-methacrylic acid, Β-methylacrylate, Β-methylacrylic acid, But-2-enoate, (2E)-But-2-enoate, (2E)-But-2-enoic acid |
| Substituent Name | Unsaturated fatty acid, Straight chain fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Crotonic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 86.0368 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.0368 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 86.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.761358 |
| Inchi | InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ |
| Smiles | C/C=C/C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Straight chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Brucea Javanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Croton Tiglium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all