(Q27139676)

Manalpha1-6(Manalpha1-3)Manalpha1-6(Manalpha1-2Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta (English)

7 October 2016

chemical formula

C₅₂H₈₈N₂O₄₁

1 reference

Manalpha1-6(Manalpha1-3)Manalpha1-6(Manalpha1-2Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta (English)

7 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1O)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)O)O)O)NC(=O)C)O

1 reference

Manalpha1-6(Manalpha1-3)Manalpha1-6(Manalpha1-2Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta (English)

7 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)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)O)O)NC(=O)C)O

1 reference

Manalpha1-6(Manalpha1-3)Manalpha1-6(Manalpha1-2Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta (English)

InChI=1S/C52H88N2O41/c1-11(61)53-21-29(69)40(17(7-59)83-45(21)80)91-46-22(54-12(2)62)30(70)41(18(8-60)88-46)92-51-39(79)43(94-52-44(34(74)26(66)16(6-58)87-52)95-50-37(77)33(73)25(65)15(5-57)86-50)28(68)20(90-51)10-82-48-38(78)42(93-49-36(76)32(72)24(64)14(4-56)85-49)27(67)19(89-48)9-81-47-35(75)31(71)23(63)13(3-55)84-47/h13-52,55-60,63-80H,3-10H2,1-2H3,(H,53,61)(H,54,62)/t13-,14-,15-,16-,17-,18-,19-,20-,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-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

LRZHHNAKZUMMFF-KELFVZTASA-N

2 references

Manalpha1-6(Manalpha1-3)Manalpha1-6(Manalpha1-2Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Man6GlcNAc2-I (English)

7 October 2016

2 references

Manalpha1-6(Manalpha1-3)Manalpha1-6(Manalpha1-2Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta (English)

matched by identifier from

7 October 2016

InChIKey

LRZHHNAKZUMMFF-KELFVZTASA-N

ChEBI ID

71518

mapping relation type

2 references

alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc (English)