(Q27157874)

CHEBI:84569 (English)

9 October 2016

chemical formula

C₂₇H₅₁N₄O₂₅P₃

1 reference

CHEBI:84569 (English)

9 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1OP(=O)(O)OC2C(OC(C(C2O)NC(=O)C)OP(=O)(O)OC3C(OC(C(C3O)NC(=O)C)OP(=O)(O)OCCCN)CO)CO)CO)O)O

1 reference

CHEBI:84569 (English)

9 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)OP(=O)(O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)NC(=O)C)OP(=O)(O)OCCCN)CO)CO)CO)O)O

1 reference

CHEBI:84569 (English)

InChI=1S/C27H51N4O25P3/c1-10(35)29-16-20(39)19(38)13(7-32)49-25(16)55-58(44,45)52-24-15(9-34)51-27(18(22(24)41)31-12(3)37)56-59(46,47)53-23-14(8-33)50-26(17(21(23)40)30-11(2)36)54-57(42,43)48-6-4-5-28/h13-27,32-34,38-41H,4-9,28H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)(H,42,43)(H,44,45)(H,46,47)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:84569 (English)

FTNHZQHTMOHOHC-WJMQZSTBSA-N

9 October 2016

InChIKey

2 references

CHEBI:84569 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

9 October 2016

2 references

CHEBI:84569 (English)

matched by identifier from

9 October 2016

InChIKey

FTNHZQHTMOHOHC-WJMQZSTBSA-N

ChEBI ID

84569

mapping relation type

2 references

trihydrogen 4-O-[4-O-(2-acetamido-2-deoxy-alpha-D-glucosylphospho)-2-acetamido-2-deoxy-alpha-D-glucosylphospho]-2-acetamido-2-deoxy-alpha-D-glucosyl 3-aminopropyl phosphate (English)