(Q27132344)

alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-O(CH2)2S(CH2)2CONH2 (English)

7 October 2016

chemical formula

C₂₃H₄₁NO₁₇S

1 reference

alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-O(CH2)2S(CH2)2CONH2 (English)

7 October 2016

canonical SMILES

C(CSCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)C(=O)N

1 reference

alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-O(CH2)2S(CH2)2CONH2 (English)

7 October 2016

isomeric SMILES

C(CSCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)C(=O)N

1 reference

alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-O(CH2)2S(CH2)2CONH2 (English)

InChI=1S/C23H41NO17S/c24-11(28)1-3-42-4-2-36-21-17(34)14(31)19(9(6-26)38-21)41-23-18(35)15(32)20(10(7-27)39-23)40-22-16(33)13(30)12(29)8(5-25)37-22/h8-10,12-23,25-27,29-35H,1-7H2,(H2,24,28)/t8-,9-,10-,12+,13+,14-,15-,16-,17-,18-,19-,20+,21-,22-,23+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-O(CH2)2S(CH2)2CONH2 (English)

KHHYUHQLAAECGW-FNLMEIKASA-N

7 October 2016

InChIKey

2 references

alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-O(CH2)2S(CH2)2CONH2 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-[(2-{[alpha-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}ethyl)sulfanyl]propanamide (English)

7 October 2016

2 references

alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-O(CH2)2S(CH2)2CONH2 (English)

matched by identifier from

7 October 2016

InChIKey

KHHYUHQLAAECGW-FNLMEIKASA-N

ChEBI ID

63027

mapping relation type

2 references

alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-O(CH2)2S(CH2)2CONH2 (English)