(Q27102160)

(2S)-3-(2-acetamido-2-deoxy-3-O-D-galactopyranosyl-beta-D-galactopyranosyloxy)-2-aminopropanoic acid (English)

5 October 2016

chemical formula

C₁₇H₃₀N₂O₁₃

1 reference

(2S)-3-(2-acetamido-2-deoxy-3-O-D-galactopyranosyl-beta-D-galactopyranosyloxy)-2-aminopropanoic acid (English)

5 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1OCC(C(=O)O)N)CO)O)OC2C(C(C(C(O2)CO)O)O)O

1 reference

(2S)-3-(2-acetamido-2-deoxy-3-O-D-galactopyranosyl-beta-D-galactopyranosyloxy)-2-aminopropanoic acid (English)

5 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)N)CO)O)OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

1 reference

(2S)-3-(2-acetamido-2-deoxy-3-O-D-galactopyranosyl-beta-D-galactopyranosyloxy)-2-aminopropanoic acid (English)

InChI=1S/C17H30N2O13/c1-5(22)19-9-14(32-17-13(26)12(25)10(23)7(2-20)31-17)11(24)8(3-21)30-16(9)29-4-6(18)15(27)28/h6-14,16-17,20-21,23-26H,2-4,18H2,1H3,(H,19,22)(H,27,28)/t6-,7+,8+,9+,10-,11-,12-,13+,14+,16+,17?/m0/s1

5 October 2016

Identifiers

InChI

1 reference

(2S)-3-(2-acetamido-2-deoxy-3-O-D-galactopyranosyl-beta-D-galactopyranosyloxy)-2-aminopropanoic acid (English)

XDMCWZFLLGVIID-SXPRBRBTSA-N

5 October 2016

InChIKey

2 references

(2S)-3-(2-acetamido-2-deoxy-3-O-D-galactopyranosyl-beta-D-galactopyranosyloxy)-2-aminopropanoic acid (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-3-{[2-Acetamido-2-deoxy-3-O-(D-galactopyranosyl)-beta-D-galactopyranosyl]oxy}-2-ammoniopropanoate (English)

5 October 2016

1 reference

(2S)-3-(2-acetamido-2-deoxy-3-O-D-galactopyranosyl-beta-D-galactopyranosyloxy)-2-aminopropanoic acid (English)

5 October 2016

ChEBI ID

16981

mapping relation type

1 reference