CAS 137636-98-7: O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-D-glucose

Description:The chemical substance known as O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-D-glucose, with CAS number 137636-98-7, is a complex glycosylated compound characterized by multiple sugar moieties linked through specific glycosidic bonds. This molecule features N-acetyl neuraminic acid, which is a sialic acid derivative, contributing to its biological significance, particularly in cell recognition and signaling processes. The presence of various sugar units, including galactose and glucosamine derivatives, indicates its potential role in glycoprotein or glycolipid structures. Such compounds are often involved in cellular interactions, immune responses, and pathogen recognition. The intricate structure suggests that it may exhibit specific binding properties, making it relevant in biochemical research and potential therapeutic applications. Its stability and solubility in biological systems would depend on the arrangement of its glycosidic linkages and the presence of functional groups.

Formula:C₆₂H₁₀₂N₄O₄₇

InChI:InChI=1S/C62H102N4O47/c1-16(74)63-31-20(78)5-61(59(96)97,111-50(31)36(85)23(81)8-68)101-15-30-38(87)43(92)44(93)56(106-30)108-48-28(13-73)104-54(33(42(48)91)65-18(3)76)100-14-29-41(90)52(45(94)57(105-29)107-47(25(83)10-70)35(84)22(80)7-67)110-55-34(66-19(4)77)49(39(88)26(11-71)102-55)109-58-46(95)53(40(89)27(12-72)103-58)113-62(60(98)99)6-21(79)32(64-17(2)75)51(112-62)37(86)24(82)9-69/h7,20-58,68-73,78-95H,5-6,8-15H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,96,97)(H,98,99)/t20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38-,39+,40-,41-,42+,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-,53-,54+,55-,56-,57-,58-,61+,62-/m0/s1

InChI key:InChIKey=KRJQBUMEJQLMJO-IYWOAXAFSA-N

SMILES:O=CC(O)C(O)C(OC1OC(COC2OC(CO)C(OC3OC(COC4(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)C(=O)O)C(O)C(O)C3O)C(O)C2NC(=O)C)C(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC7(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C7)C(=O)O)C6O)C5NC(=O)C)C1O)C(O)CO

Synonyms:
5-(acetylamino)-2-[(6-{[5-(acetylamino)-6-[(4-{[3-(acetylamino)-4-{[4-{[5-(acetylamino)-2-carboxy-6-hydroxy-4-(1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-[1-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-oxobutoxy]-3,5-dihydroxytetrahydro-2H-pyran-2-yl)methoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
5-Acetamido-2-[2-[3-Acetamido-2-[2-[[3-Acetamido-5-[6-[[5-Acetamido-2-Carboxy-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Oxan-2-Yl]Oxymethyl]-3,4,5-Trihydroxyoxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]-3,5-Dihydroxy-6-(1,2,4,5-Tetrahydroxy-6-Oxohexan-3-Yl)Oxyoxan-4-Yl]Oxy-5-Hydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-6-Hydroxy-4-(1,2,3-Trihydroxypropyl)Oxane-2-Carboxylic Acid
<span class="text-smallcaps">D</smallcap>-Glucose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-<smallcap>D</smallcap>-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-<smallcap>D</smallcap>-glucopyranosyl-(1→3)-O-[O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-<smallcap>D</smallcap>-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-<smallcap>D</smallcap>-glucopyranosyl-(1→6)]-O-β-<smallcap>D</span>-galactopyranosyl-(1→4)-
Disialyllacto-N-hexaose I
Dslnh-I
O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-<span class="text-smallcaps">D</smallcap>-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-<smallcap>D</smallcap>-glucopyranosyl-(1→3)-O-[O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-<smallcap>D</smallcap>-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-<smallcap>D</smallcap>-glucopyranosyl-(1→6)]-O-β-<smallcap>D</smallcap>-galactopyranosyl-(1→4)-<smallcap>D</span>-glucose
D-Glucose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-
O-(N-Acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-D-glucose