2-N-acetyl-alpha-D-glucosaminopyranosyl-(1->3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-alpha-D-glucosaminopyranosyl-(1->2)-(2R)-3-hydroxypropanoate dimer (Q27145050)

CHEBI:74980 (English)

8 October 2016

chemical formula

C₃₉H₆₉N₃O₃₃P₂

1 reference

CHEBI:74980 (English)

8 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)OC(CO)C(=O)O)COP(=O)(O)OCC3C(C(C(C(O3)OC4C(C(OC(C4O)OC(CO)C(=O)O)COP(=O)(O)OCCCCCN)O)NC(=O)C)O)O)O)CO)O)O

1 reference

CHEBI:74980 (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]([C@H](O[C@@H]([C@@H]2O)O[C@H](CO)C(=O)O)COP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@H]4[C@@H]([C@H](O[C@@H]([C@@H]4O)O[C@H](CO)C(=O)O)COP(=O)(O)OCCCCCN)O)NC(=O)C)O)O)O)CO)O)O

1 reference

CHEBI:74980 (English)

InChI=1S/C39H69N3O33P2/c1-14(46)41-22-28(52)24(48)16(8-43)68-36(22)74-32-27(51)21(73-38(30(32)54)69-17(9-44)34(56)57)13-67-77(62,63)66-11-19-25(49)29(53)23(42-15(2)47)37(71-19)75-33-26(50)20(12-65-76(60,61)64-7-5-3-4-6-40)72-39(31(33)55)70-18(10-45)35(58)59/h16-33,36-39,43-45,48-55H,3-13,40H2,1-2H3,(H,41,46)(H,42,47)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,36-,37-,38+,39+/m1/s1

8 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

XCBIIXMNTTXMSM-VKJCAURSSA-N

2 references

CHEBI:74980 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2-({(2R,3R,4S,5R,6R)-4-{[(2R,3R,4R,5S,6R)-3-Acetamido-6-({[({(2R,3R,4S,5R,6R)-4-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-[(1R)-1-carboxy-2-hyd (English)

8 October 2016

1 reference

CHEBI:74980 (English)

8 October 2016

ChEBI ID

74980

mapping relation type

1 reference