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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H42O29
Molecular Weight 842.6157
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRAGALACTURONIC ACID HYDROXYMETHYLESTER

SMILES

[H][C@]4(O[C@@H]1[C@H](O)[C@@H](O)[C@@]([H])(O[C@@H]2[C@H](O)[C@@H](O)[C@@]([H])(O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)OCO)O[C@@H]2C(=O)OCO)O[C@@H]1C(=O)OCO)O[C@@H]([C@H](O)[C@H](O)[C@H]4O)C(=O)OCO

InChI

InChIKey=PGQMFCVZFGJVNB-LRVJTQDXSA-N
InChI=1S/C28H42O29/c29-1-47-22(43)17-6(34)5(33)11(39)26(55-17)53-15-8(36)13(41)28(57-19(15)24(45)49-3-31)54-16-9(37)12(40)27(56-20(16)25(46)50-4-32)52-14-7(35)10(38)21(42)51-18(14)23(44)48-2-30/h5-21,26-42H,1-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21-,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H42O29
Molecular Weight 842.6157
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 20 / 20
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:37:09 UTC 2023
Edited
by admin
on Sat Dec 16 08:37:09 UTC 2023
Record UNII
94C20R1E96
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRAGALACTURONIC ACID HYDROXYMETHYLESTER
WHO-DD  
Common Name English
Tetragalacturonic acid hydroxymethylester [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-VATC QB02BC03
Created by admin on Sat Dec 16 08:37:09 UTC 2023 , Edited by admin on Sat Dec 16 08:37:09 UTC 2023
WHO-ATC B02BC03
Created by admin on Sat Dec 16 08:37:09 UTC 2023 , Edited by admin on Sat Dec 16 08:37:09 UTC 2023
Code System Code Type Description
CAS
53008-15-4
Created by admin on Sat Dec 16 08:37:09 UTC 2023 , Edited by admin on Sat Dec 16 08:37:09 UTC 2023
PRIMARY
DRUG BANK
DB13621
Created by admin on Sat Dec 16 08:37:09 UTC 2023 , Edited by admin on Sat Dec 16 08:37:09 UTC 2023
PRIMARY
DRUG CENTRAL
4729
Created by admin on Sat Dec 16 08:37:09 UTC 2023 , Edited by admin on Sat Dec 16 08:37:09 UTC 2023
PRIMARY
WIKIPEDIA
Tetragalacturonic acid hydroxymethylester
Created by admin on Sat Dec 16 08:37:09 UTC 2023 , Edited by admin on Sat Dec 16 08:37:09 UTC 2023
PRIMARY
PUBCHEM
72941563
Created by admin on Sat Dec 16 08:37:09 UTC 2023 , Edited by admin on Sat Dec 16 08:37:09 UTC 2023
PRIMARY
ChEMBL
CHEMBL3707283
Created by admin on Sat Dec 16 08:37:09 UTC 2023 , Edited by admin on Sat Dec 16 08:37:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID101099182
Created by admin on Sat Dec 16 08:37:09 UTC 2023 , Edited by admin on Sat Dec 16 08:37:09 UTC 2023
PRIMARY
FDA UNII
94C20R1E96
Created by admin on Sat Dec 16 08:37:09 UTC 2023 , Edited by admin on Sat Dec 16 08:37:09 UTC 2023
PRIMARY