beta-D-4-deoxy-Delta(4)-GlcpA-(1-&gt;3)-beta-D-GalpNAc6S(2-) (Q27132535)

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S (English)

7 October 2016

chemical formula

C₁₄H₁₉NO₁₄S²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S (English)

7 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)[O-])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-GalpNAc6S (English)

InChI=1S/C14H21NO14S/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)/p-2/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-GalpNAc6S (English)

BUJZTFINDCQRGP-MUODBDBBSA-L

7 October 2016

InChIKey

2 references

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-6-O-sulfonato-beta-D-galactopyranose (English)

7 October 2016

1 reference

beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S (English)

7 October 2016

ChEBI ID

63267

mapping relation type

1 reference