gamma-glutamyl-S-allylmercaptocysteine
PubChem CID: 101630431
Connections displayed (default: 10).
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| Compound Synonyms | gamma-glutamyl-S-allylmercaptocysteine |
|---|---|
| Topological Polar Surface Area | 180.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-amino-5-[[(1R)-1-carboxy-2-(prop-2-enyldisulfanyl)ethyl]amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -2.8 |
| Molecular Formula | C11H18N2O5S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VTEHWEWRSAXLHY-YUMQZZPRSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -2.546 |
| Rotatable Bond Count | 11.0 |
| Logd | -0.14 |
| Compound Name | gamma-glutamyl-S-allylmercaptocysteine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.066 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.066 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 322.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3171703999999995 |
| Inchi | InChI=1S/C11H18N2O5S2/c1-2-5-19-20-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1 |
| Smiles | C=CCSSC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients