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Details

Stereochemistry ABSOLUTE
Molecular Formula C79H141N3O35
Molecular Weight 1692.9639
Optical Activity UNSPECIFIED
Defined Stereocenters 33 / 33
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FUCOSYL GM1 GANGLIOSIDE

SMILES

[H][C@@]6(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]2[C@@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@@H](CO)O[C@@]([H])(O[C@@H]4[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2NC(C)=O)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O

InChI

InChIKey=KGUMAAYFQYKEJT-QMLHLINFSA-N
InChI=1S/C79H141N3O35/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-54(93)82-46(47(90)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)42-106-74-65(102)63(100)67(52(40-86)110-74)112-76-66(103)71(117-79(78(104)105)36-48(91)55(80-44(4)88)70(116-79)58(95)49(92)37-83)68(53(41-87)111-76)113-73-56(81-45(5)89)69(60(97)51(39-85)108-73)114-77-72(62(99)59(96)50(38-84)109-77)115-75-64(101)61(98)57(94)43(3)107-75/h32,34,43,46-53,55-77,83-87,90-92,94-103H,6-31,33,35-42H2,1-5H3,(H,80,88)(H,81,89)(H,82,93)(H,104,105)/b34-32+/t43-,46-,47+,48-,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60-,61+,62-,63+,64-,65+,66+,67+,68-,69+,70+,71+,72+,73-,74+,75-,76-,77-,79-/m0/s1

HIDE SMILES / InChI

Molecular Formula C79H141N3O35
Molecular Weight 1692.9639
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 33 / 33
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:02:19 UTC 2023
Edited
by admin
on Sat Dec 16 14:02:19 UTC 2023
Record UNII
07D35C4DO9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUCOSYL GM1 GANGLIOSIDE
Common Name English
Code System Code Type Description
FDA UNII
07D35C4DO9
Created by admin on Sat Dec 16 14:02:19 UTC 2023 , Edited by admin on Sat Dec 16 14:02:19 UTC 2023
PRIMARY
PUBCHEM
135390974
Created by admin on Sat Dec 16 14:02:19 UTC 2023 , Edited by admin on Sat Dec 16 14:02:19 UTC 2023
PRIMARY
CAS
71812-11-8
Created by admin on Sat Dec 16 14:02:19 UTC 2023 , Edited by admin on Sat Dec 16 14:02:19 UTC 2023
NO STRUCTURE GIVEN
Related Record Type Details
LIGAND->TARGET