Methylmethionine Sulfonium Chloride
PubChem CID: 16217806
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| Compound Synonyms | 1115-84-0, Methylmethionine sulfonium chloride, Ardesyl, Vitamin U, Merastom, Cabagin U, Cabagin, Yucron, Epadyn-U, S-Methylmethioninium chloride, U-Vit, Vitas U, Methylmethioninesulfonium chloride, Cabagin U (TN), methiosulfonium chloride, L-Methionine-S-methylSulfoniumChloride, METHYLMETHIONINE CHLORIDE, L-Methionine-S-methyl Sulfonium Chloride, S-Methymethionine chloride, (S)-(3-Amino-3-carboxypropyl)dimethylsulfonium chloride, Methylmethionine sulfonium chloride [JAN], Vitamin U (chloride), EINECS 214-231-1, Methylmethionine sulfonium chloride (JAN), Methylmethionine sulfonium salt, CHEBI:6884, G9CUR2204U, L-Methylmethionine sulfonium chloride, Sulfonium, (3-amino-3-carboxypropyl)dimethyl-, chloride, L-, Sulfonium, (3-amino-3-carboxypropyl)dimethyl-, chloride, (S)-, FEMA No. 3445, [(3S)-3-amino-3-carboxypropyl]-dimethylsulfanium, chloride, Chloride, Methionine Methylsulfonium, VITAMIN U [WHO-DD], Epadyn U, UNII-G9CUR2204U, ((3S)-3-amino-3-carboxy-propyl)-dimethyl-sulfonium, chloride, [(3S)-3-amino-3-carboxy-propyl]-dimethyl-sulfonium, chloride, S Methylmethionine, SCHEMBL232285, CHEMBL1797128, DTXSID80274005, Chloride, Methylmethioninesulfonium, Methionine Methylsulfonium Chloride, HY-N2551, Methylsulfonium Chloride, Methionine, Methyl-methionine sulphonium chloride, AKOS024319296, DB13250, FM25160, METHIOSULFONIUM CHLORIDE [MART.], S-ethylmethionine sulfonium chloride, U-i, CS-0022823, C04078, D00177, S-METHYLMETHIONINE L-FORM CHLORIDE [MI], Q27107348, (S)-(3-Amino-3-carboxypropyl)dimethylsulfoniumchloride, Sulfonium, (3-amino-3-carboxypropyl)dimethyl-, chloride, (S)-(9CI), SULFONIUM, ((3S)-3-AMINO-3-CARBOXYPROPYL)DIMETHYL-, CHLORIDE (1:1), [(3S)-3-Amino-3-carboxypropyl](dimethyl)sulfonium chloride, SMMS, L-(3-Amino-3-carboxypropyl)(dimethyl)sulfonium chloride |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 64.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Aminoacids |
| Deep Smiles | N[C@H]C=O)O))CC[S+]C)C.[Cl-] |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(3S)-3-amino-3-carboxypropyl]-dimethylsulfanium, chloride |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14ClNO2S |
| Inchi Key | MYGVPKMVGSXPCQ-JEDNCBNOSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | vitamin u (s-methyl methionine) |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, C[S+](C)C, [Cl-] |
| Compound Name | Methylmethionine Sulfonium Chloride |
| Exact Mass | 199.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 199.043 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 199.7 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9, /h5H,3-4,7H2,1-2H3, 1H/t5-, /m0./s1 |
| Smiles | C[S+](C)CC[C@@H](C(=O)O)N.[Cl-] |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:ISBN:9788172361150 - 4. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:npass_chem_all