U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H35NO15
Molecular Weight 529.4896
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEWIS A TRISACCHARIDE

SMILES

[H][C@@]2(O[C@H]([C@H](O)CO)[C@H](O[C@]1([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](NC(C)=O)C=O)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O

InChI

InChIKey=HHQLEBOUBWWITP-MBKDEEHCSA-N
InChI=1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)36-18(9(26)4-23)17(8(3-22)21-7(2)25)35-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H35NO15
Molecular Weight 529.4896
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:06:51 GMT 2023
Edited
by admin
on Sat Dec 16 15:06:51 GMT 2023
Record UNII
7D99WWU6HB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEWIS A TRISACCHARIDE
Common Name English
D-GLUCOSE, O-.ALPHA.-L-FUCOPYRANOSYL-(1->4)-O-(.BETA.-D-GALACTOPYRANOSYL-(1->3))-2-ACETAMIDO-2-DEOXY-
Systematic Name English
LEWIS A
Common Name English
D-GLUCOSE, O-6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->4)-O-(.BETA.-D-GALACTOPYRANOSYL-(1->3))-2-(ACETYLAMINO)-2-DEOXY-
Systematic Name English
LEWIS A ANTIGEN
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID301045179
Created by admin on Sat Dec 16 15:06:51 GMT 2023 , Edited by admin on Sat Dec 16 15:06:51 GMT 2023
PRIMARY
PUBCHEM
53477858
Created by admin on Sat Dec 16 15:06:51 GMT 2023 , Edited by admin on Sat Dec 16 15:06:51 GMT 2023
PRIMARY
CAS
56570-03-7
Created by admin on Sat Dec 16 15:06:51 GMT 2023 , Edited by admin on Sat Dec 16 15:06:51 GMT 2023
PRIMARY
CHEBI
59295
Created by admin on Sat Dec 16 15:06:51 GMT 2023 , Edited by admin on Sat Dec 16 15:06:51 GMT 2023
PRIMARY
FDA UNII
7D99WWU6HB
Created by admin on Sat Dec 16 15:06:51 GMT 2023 , Edited by admin on Sat Dec 16 15:06:51 GMT 2023
PRIMARY
CHEBI
62265
Created by admin on Sat Dec 16 15:06:51 GMT 2023 , Edited by admin on Sat Dec 16 15:06:51 GMT 2023
PRIMARY
CHEBI
61334
Created by admin on Sat Dec 16 15:06:51 GMT 2023 , Edited by admin on Sat Dec 16 15:06:51 GMT 2023
PRIMARY