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

Details

Stereochemistry ABSOLUTE
Molecular Formula C60H100N6O43
Molecular Weight 1593.4504
Optical Activity UNSPECIFIED
Defined Stereocenters 41 / 41
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A2G1b glycan aspariginyl

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O

InChI

InChIKey=HAADZECBOHOUGE-PJVIJUMUSA-N
InChI=1S/C60H100N6O43/c1-14(74)62-28-38(85)46(23(10-71)96-52(28)66-27(78)5-18(61)53(93)94)104-55-30(64-16(3)76)39(86)48(25(12-73)101-55)106-58-45(92)49(36(83)26(103-58)13-95-59-50(42(89)34(81)21(8-69)99-59)108-54-29(63-15(2)75)37(84)32(79)19(6-67)97-54)107-60-51(43(90)35(82)22(9-70)100-60)109-56-31(65-17(4)77)40(87)47(24(11-72)102-56)105-57-44(91)41(88)33(80)20(7-68)98-57/h18-26,28-52,54-60,67-73,79-92H,5-13,61H2,1-4H3,(H,62,74)(H,63,75)(H,64,76)(H,65,77)(H,66,78)(H,93,94)/t18-,19+,20+,21+,22+,23+,24+,25+,26+,28+,29+,30+,31+,32+,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46+,47+,48+,49-,50-,51-,52+,54-,55-,56-,57-,58-,59-,60+/m0/s1

HIDE SMILES / InChI

Molecular Formula C60H100N6O43
Molecular Weight 1593.4504
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 41 / 41
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:09:29 GMT 2025
Edited
by admin
on Wed Apr 02 17:09:29 GMT 2025
Record UNII
8669K53MKR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A2G1b glycan aspariginyl
Preferred Name English
Code System Code Type Description
GlyTouCan
G66937TJ
Created by admin on Wed Apr 02 17:09:29 GMT 2025 , Edited by admin on Wed Apr 02 17:09:29 GMT 2025
PRIMARY
EUTCT
XXXXXXXX33
Created by admin on Wed Apr 02 17:09:29 GMT 2025 , Edited by admin on Wed Apr 02 17:09:29 GMT 2025
PRIMARY
CHEBI
152876
Created by admin on Wed Apr 02 17:09:29 GMT 2025 , Edited by admin on Wed Apr 02 17:09:29 GMT 2025
PRIMARY
GlyGen
G66937TJ
Created by admin on Wed Apr 02 17:09:29 GMT 2025 , Edited by admin on Wed Apr 02 17:09:29 GMT 2025
PRIMARY
FDA UNII
8669K53MKR
Created by admin on Wed Apr 02 17:09:29 GMT 2025 , Edited by admin on Wed Apr 02 17:09:29 GMT 2025
PRIMARY
PUBCHEM
169490755
Created by admin on Wed Apr 02 17:09:29 GMT 2025 , Edited by admin on Wed Apr 02 17:09:29 GMT 2025
PRIMARY
KEGG
G11022
Created by admin on Wed Apr 02 17:09:29 GMT 2025 , Edited by admin on Wed Apr 02 17:09:29 GMT 2025
PRIMARY