L-cystathionine
PubChem CID: 439258
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| Compound Synonyms | L-cystathionine, 56-88-2, L-(+)-Cystathionine, cystathionine, Cystathionine, L-, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine, L-Homocysteine, S-(2-amino-2-carboxyethyl)-, (R)-, (2S)-2-amino-4-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanylbutanoic acid, (2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid, 375YFJ481O, (2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid, L-Homocysteine, S-((2R)-2-amino-2-carboxyethyl)-, Butanoic acid, 2-amino-4-((2-amino-2-carboxyethyl)thio)-, (R-(R*,S*))-, L-Homocysteine, S-[(2R)-2-amino-2-carboxyethyl]-, UNII-375YFJ481O, Butanoic acid, 2-amino-4-[(2-amino-2-carboxyethyl)thio]-, [R-(R*,S*)]-, EINECS 200-295-8, Cystathionine (6CI,7CI), Cystathionine, L- (8CI), S-[(2R)-2-amino-2-carboxyethyl]-L-Homocysteine, SCHEMBL81862, L-CYSTATHIONINE [MI], GTPL5173, CHEBI:17482, DTXSID20971384, ILRYLPWNYFXEMH-WHFBIAKZSA-N, L-Cystathionine, >=98% (TLC), MFCD00036685, AKOS030240717, CS-W010465, FC20767, HY-W009749, AS-56691, DB-008956, S-(beta-amino-beta-carboxyethyl)homocysteine, C02291, E79085, Q28529685, FD1436D6-F116-4693-B9DB-B8A83420BD09, L-Homocysteine, S-[(2R)-2-amino-2-carboxyethyl]- (9CI), (S)-2-amino-4-((R)-2-amino-2-carboxyethylthio)butanoic acid, [R-(R*,S*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-Butanoate, [R-(R*,S*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-Butanoic acid, S-[(2R)-2-Amino-2-carboxyethyl]-L-homocysteine, [R-(R*,S*)]-2-Amino-4-[(2-amino-2-carboxyethyl)thio]butanoic acid |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P32929, P35520 |
| Iupac Name | (2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -6.0 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C7H14N2O4S |
| Prediction Swissadme | 0.0 |
| Inchi Key | ILRYLPWNYFXEMH-WHFBIAKZSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -2.089 |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Logd | -0.684 |
| Synonyms | (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine, L-(+)-Cystathionine, S-(beta-Amino-beta-carboxyethyl)homocysteine, S-(b-Amino-b-carboxyethyl)homocysteine, S-(Β-amino-β-carboxyethyl)homocysteine, Cystathionine, S-[(2R)-2-Amino-2-carboxyethyl]-L-homocysteine, [R-(R*,s*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-butanoate, [R-(R*,s*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-butanoic acid |
| Compound Name | L-cystathionine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.067 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.067 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 222.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 2.9924508000000003 |
| Inchi | InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 |
| Smiles | C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | L-cysteine-S-conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients