alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc-Gly (Q27144998)

Man7GlcNAc2-Gly (English)

8 October 2016

chemical formula

C₆₀H₁₀₁N₃O₄₇

1 reference

Man7GlcNAc2-Gly (English)

8 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1NCC(=O)O)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)NC(=O)C)O

1 reference

Man7GlcNAc2-Gly (English)

8 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)NCC(=O)O)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O

1 reference

Man7GlcNAc2-Gly (English)

InChI=1S/C60H101N3O47/c1-13(71)62-25-34(82)46(20(9-69)96-52(25)61-3-24(73)74)105-53-26(63-14(2)72)35(83)47(21(10-70)102-53)106-58-45(93)49(108-59-51(40(88)31(79)18(7-67)100-59)110-60-50(39(87)30(78)19(8-68)101-60)109-57-43(91)38(86)29(77)17(6-66)99-57)33(81)23(104-58)12-95-55-44(92)48(107-56-42(90)37(85)28(76)16(5-65)98-56)32(80)22(103-55)11-94-54-41(89)36(84)27(75)15(4-64)97-54/h15-23,25-61,64-70,75-93H,3-12H2,1-2H3,(H,62,71)(H,63,72)(H,73,74)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,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+,59-,60-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

MCLJBMPDULWQOY-LQNPEEJNSA-N

2 references

Man7GlcNAc2-Gly (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

{[(3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hyd (English)

8 October 2016

1 reference

Man7GlcNAc2-Gly (English)

8 October 2016

ChEBI ID

74891

mapping relation type

1 reference