Lacto-n-decaose

Structural Information

Molecular Formula

C₉₅H₁₆₈N₄O₂₃

SMILES

CC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC2[C@@H]([C@H](C(O[C@@H]2CC)OC[C@@H]3[C@@H](C([C@H](C(O3)OC4[C@@H]([C@H](C(O[C@@H]4CC)OCC5[C@@H](C([C@H](C(O5)OC6[C@@H]([C@H](C(O[C@@H]6C)C)C)C)C)OC7[C@@H](C([C@H]([C@H](O7)CC)C)OC8[C@@H]([C@H]([C@H]([C@H](O8)CC)C)C)C)NC(=O)C)C)NC(=O)C)C)C)OC9[C@@H](C([C@H]([C@H](O9)CC)C)OC1[C@@H]([C@H]([C@H]([C@H](O1)CC)C)C)C)NC(=O)C)C)NC(=O)C)C)C)C)C

InChI

InChI=1S/C95H168N4O23/c1-33-67-46(12)42(8)50(16)87(107-67)119-83-57(23)76(96-63(29)100)92(112-72(83)38-6)105-41-75-56(22)81(117-95-79(99-66(32)103)86(54(20)71(37-5)111-95)122-89-52(18)44(10)48(14)69(35-3)109-89)60(26)91(115-75)120-84-58(24)77(97-64(30)101)93(113-73(84)39-7)104-40-74-55(21)80(59(25)90(114-74)118-82-49(15)45(11)61(27)106-62(82)28)116-94-78(98-65(31)102)85(53(19)70(36-4)110-94)121-88-51(17)43(9)47(13)68(34-2)108-88/h42-62,67-95H,33-41H2,1-32H3,(H,96,100)(H,97,101)(H,98,102)(H,99,103)/t42-,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57+,58+,59+,60+,61?,62+,67+,68+,69+,70+,71+,72+,73+,74?,75+,76+,77+,78+,79+,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91?,92?,93?,94?,95?/m0/s1

InChIKey

SJQVFWDWZSSQJI-RIIJGTCGSA-N

Compound name

N-[(3R,4R,6R)-2-[[(2S,3R,5R)-6-[(2R,4R,5R)-5-acetamido-6-[[(3R,5R)-4-[(3R,5S,6R)-3-acetamido-6-ethyl-4-[(3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyloxan-2-yl]oxy-3,5-dimethyl-6-[(2R,4R,5R)-2,4,5,6-tetramethyloxan-3-yl]oxyoxan-2-yl]methoxy]-2-ethyl-4-methyloxan-3-yl]oxy-4-[(3R,5S,6R)-3-acetamido-6-ethyl-4-[(3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]methoxy]-6-ethyl-5-[(3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyloxan-3-yl]acetamide

Related CIDs

• CID 53477880