(Q27132529)

3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-D-galactosamine(1-)

inferred from SMILES

1 reference

inferred from SMILES

mass

378.104±0 dalton

1 reference

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc (English)

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GlcpNAc(1-)

7 October 2016

stereoisomer of

1 reference

inferred from InChI

chemical formula

C₁₄H₂₀NO₁₁⁻

1 reference

inferred from SMILES

canonical SMILES

CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C=C(O2)C(=O)[O-])O)O

1 reference

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc (English)

7 October 2016

isomeric SMILES

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

1 reference

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc (English)

InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/p-1/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc (English)

DLGJWSVWTWEWBJ-MUODBDBBSA-M

7 October 2016

InChIKey

2 references

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc(1-) (English)

7 October 2016

1 reference

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc (English)

7 October 2016

ChEBI ID

63263

mapping relation type

1 reference