N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin
Basic information
- CAS
149340-22-7- Standard SMILES
C=CCS(=O)CC(NCC1(O)OCC(O)C(O)C1O)C(=O)O- InChIKey
HXMZQSGMNGTGGB-UHFFFAOYSA-N- Molecular formula
- C12H21NO8S
- Average molar mass
- 339.36 g/mol
- Monoisotopic mass
- 339.0987878
Overview
N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin is an alpha-amino acid.
Names & identifiers
- Preferred name
- N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin
- IUPAC
- 3-prop-2-enylsulfinyl-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]propanoic acid
Names & synonyms
N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliinN-Fructosyl alliinCHEBI:191617DTXSID8011426793-(Prop-2-ene-1-sulfinyl)-2-{[(2,3,4,5-tetrahydroxyoxan-2-yl)methyl]amino}propanoic acid3-prop-2-enylsulinyl-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]propanoic acidL-Alanine, N-(1-deoxy-I(2)-D-fructopyranos-1-yl)-3-(2-propenylsulfinyl)-, (S)-149340-22-7
Database identifiers
- CAS
149340-22-7- PubChem CID
- 75052012
- DTXSID
DTXSID801142679- ChEBI
CHEBI:191617
Properties
Computed structural properties
- XLogP
- -5.4
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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