Trimannosyldilysine
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Basic information
- CAS
79390-81-1- Standard SMILES
O=C(CCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)NC(=O)CCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O- InChIKey
XNLMOLQNXJIGDH-DWRWFLLRSA-N- Molecular formula
- C39H68N4O21S3
- Average molar mass
- 1,025.2 g/mol
- Monoisotopic mass
- 1,024.35381871
Names & identifiers
- Preferred name
- Trimannosyldilysine
- IUPAC
- (2S)-2-[[(2S)-2,6-bis[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]hexanoyl]amino]-6-[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]hexanoic acid
- English name
- trimannosyldilysine
- Molecular formula
- C39H68N4O21S3
- Molecular weight
- 1025.16642
Names & synonyms
Trimannosyldilysine79390-81-1Man(3)lys(2)DTXSID60229634L-Lysine, N2-(N2,N6-bis(3-(alpha-D-mannopyranosylthio)-1-oxopropyl)-L-lysyl)-N6-(3-(alpha-D-mannopyranosylthio)-1-oxopropyl)-RefChem:191717DTXCID10152125(2S)-2-[[(2S)-2,6-bis[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]hexanoyl]amino]-6-[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]hexanoic acidSCHEMBL10876895N2-(N2,N6-bis(3-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)propanoyl)-L-lysyl)-N6-(3-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)propanoyl)-L-lysineHY-135520N~2~,N~6~-Bis[3-(alpha-D-mannopyranosylthio)propanoyl]-L-lysyl-N~6~-[3-(alpha-D-mannopyranosylthio)propanoyl]-L-lysine
Database identifiers
- CAS
79390-81-1- PubChem CID
- 5487555
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- -5.3
- Topological polar surface area
- 500 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 29
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,530
Chemistry & industry
Applications
UsesTrimannosyldilysine (Man3Lys2) is a mannosyl glycopeptide that can be coupled to human placental p-glucocerebrosidase to enhance macrophage uptake[1].
Related reactions
0 records
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Compound notes
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