CAS: 137636-98-7 - 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-ox

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