S-Allylcysteine
PubChem CID: 9793905
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| Compound Synonyms | S-allyl-L-cysteine, 21593-77-1, S-Allylcysteine, (R)-3-(Allylthio)-2-aminopropanoic acid, L-DEOXYALLIIN, S-Allyl cysteine, L-Cysteine, S-2-propenyl-, allyl-cysteine, DEOXYALLIIN, S-prop-2-en-1-yl-L-cysteine, S-2-propenyl-L-cysteine, CHEBI:74077, S-allyl-laevo-cysteine, MFCD00151975, 81R3X99M15, CCRIS 7667, FEMA NO. 4322, UNII-81R3X99M15, 3-(ALLYLTHIO)-L-ALANINE, DTXSID20894862, ALANINE, 3-(ALLYLTHIO)-, (2R)-2-amino-3-prop-2-enylsulfanylpropanoic acid, S-(2-PROPENYL)-L-CYSTEINE, (R)-Allylthio-2-aminopropionic Acid, NSC 96449, NSC-96449, ALANINE, 3-(ALLYLTHIO)-, L-, L-CYSTEINE, S-2-PROPEN-1-YL-, (R)-ALLYLTHIO-2-AMINOPROPANOIC ACID, (2R)-3-(ALLYLTHIO)-2-AMINOPROPANOIC ACID, (2R)-2-AMINO-3-(PROP-2-EN-1-YLSULFANYL) PROPANOIC ACID, S-ALLYL-L-CYSTEINE (USP-RS), S-ALLYL-L-CYSTEINE [USP-RS], (+)-S-ALLYLCYSTEINE, NSC96449, s-allyl-cysteine, L-Cysteine, S-2-propen-1-yl, SCHEMBL119989, S-Allyl-L-cysteine (Standard), CHEMBL2048654, DTXCID901324424, S-ALLYL-L-CYSTEINE [FHFI], HY-W013573R, s4791, AKOS002683883, AKOS015839120, CCG-266290, CS-W014289, DS-3406, FA30192, HY-W013573, S-Allyl-L-cysteine, >=98% (HPLC), (R)-3-(Allylthio)-2-aminopropanoicacid, AC-31029, DA-57639, A1468, F10957, S-ALLYL-L-CYSTEINE (CONSTITUENT OF GARLIC), Q7387047, S-ALLYL-L-CYSTEINE (CONSTITUENT OF GARLIC) [DSC], S-Allyl-L-cysteine, United States Pharmacopeia (USP) Reference Standard, I3L |
|---|---|
| Topological Polar Surface Area | 88.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-3-prop-2-enylsulfanylpropanoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.1 |
| Is Pains | False |
| Molecular Formula | C6H11NO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZFAHNWWNDFHPOH-YFKPBYRVSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 5.0 |
| Compound Name | S-Allylcysteine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.051 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 161.051 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 161.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7944988 |
| Inchi | InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1 |
| Smiles | C=CCSC[C@@H](C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all