Sialyl Lewis A
(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-2-acetamido-5,6-dihydroxy-1-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Molecular Identity
Sialyl Lewis A
(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-2-acetamido-5,6-dihydroxy-1-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
PubChem CID: 643993
3-sialyl lewis is a member of neuraminic acids.
2D Structure
Properties
C31H52N2O23
Molecular Formula
820.70
Molecular Weight
g/mol
820.2961
Exact Mass
Da
-8.6
XLogP
Drug-like (Lipinski: < 5)
411
TPSA
May have limited oral absorption
15
H-Bond Donors
23
H-Bond Acceptors
1320
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)NC(=O)C)OC2C(C(C(C(O2)CO)O)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)OIsomeric SMILES
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)OSynonyms(20)
Sialyl Lewis a92448-22-13-Sialyl LewisSialyl Lea triUNII-ZEJ6FM4UJKCA19-9CHEBI:61793(2S,4S,5R,6R)-5-acetamido-2-{[(2R,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R)-2-acetamido-5,6-dihydroxy-1-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidD-GLUCOSE, O-(N-ACETYL-.ALPHA.-NEURAMINOSYL)-(2->3)-O-.BETA.-D-GALACTOPYRANOSYL-(1->3)-O-(6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->4))-2-(ACETYLAMINO)-2-DEOXY-D-Glucose, O-(N-acetyl-alpha-neuraminosyl)-(2->3)-o-beta-D-galactopyranosyl-(1->3)-O-(6-deoxy-alpha-L-galactopyranosyl-(1->4))-2-(acetylamino)-2-deoxy-Sialyl LewisASialyl LeA(2S,4S,5R,6R)-2-(((2R,3R,4S,5S,6R)-2-(((2R,3R,4R,5R)-5,6-dihydroxy-2-((1-hydroxyethylidene)amino)-1-oxo-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)hexan-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy)-4-hydroxy-5-((1-hydroxyethylidene)amino)-6-((1R,2R)-1,2,3-trihydroxypropyl)oxane-2-carboxylate(2S,4S,5R,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R)-5,6-dihydroxy-2-[(1-hydroxyethylidene)amino]-1-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate(2S,4S,5R,6R)-5-acetamido-2-(((2R,3R,4S,5S,6R)-2-(((2R,3R,4R,5R)-2-acetamido-5,6-dihydroxy-1-oxo-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)hexan-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sialyl Lewis A
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