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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H35NO13
Molecular Weight 497.4908
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALIDAMYCIN A

SMILES

[H][C@]3(N[C@H]1C[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C=C(CO)[C@@H](O)[C@H](O)[C@H]3O

InChI

InChIKey=JARYYMUOCXVXNK-CSLFJTBJSA-N
InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H35NO13
Molecular Weight 497.4908
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 08:51:42 GMT 2023
Edited
by admin
on Sat Dec 16 08:51:42 GMT 2023
Record UNII
313E9620QS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALIDAMYCIN A
HSDB  
Common Name English
VALIDAMYCIN
Common Name English
D-CHIRO-INOSITOL, 1,5,6-TRIDEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-5-(HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-, (1S-(1.ALPHA.,4.ALPHA.,5.BETA.,6.ALPHA.))-
Systematic Name English
D-1,5,6-TRIDEOXY-3-O-.BETA.-D-GLUCOPYRANOSYL-5- (HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2- CYCLOHEXEN-1-YL)AMINO)-D-CHIROINOSITOL
Systematic Name English
D-CHIRO-INOSITOL, 1,5,6-TRIDEOXY-3-O-.BETA.-D-GLUCOPYRANOSYL- 5-(HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2- CYCLOHEXEN-1-YL)AMINO)-, (1S-(1-.ALPHA.,4-.ALPHA.,5-.BETA.,6- .ALPHA.))-
Systematic Name English
VALIDAMYCINS VALIDAMYCIN A [MI]
Common Name English
VALIDACIN
Common Name English
(1S-(1.ALPHA.,4.ALPHA.,5.BETA.,6.ALPHA.))-1,5,6-TRIDEOXY-4-O-.BETA.-D- GLUCOPYRANOSYL-5-(HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3- (HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-D-CHIRO-INOSITOL
Systematic Name English
VALIMON
Common Name English
1L-(1,3,4/2,6)-2,3-DIHYDROXY-6-HYDROXYMETHYL-4- ((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-HYDROXYMETHYLCYCLOHEX-2- ENYLAMINO)CYCLOHEXYL .BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
1L-(1,3,4/2,6)-2,3-DIHYDROXY-6-HYDROMETHYL-4-((1S,4R,5S,6S)- 4,5,6-TRIHYDROXY-3-HYDROXYMETHYLCYCLOHEX-2- ENYLAMINO)CYCLOHEXYL .BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
(1S-(1A,4A,5B,6A))-1,5,6-TRIDEOXY-3-O-B-D-GLUCOPYRANOSYL-5- (HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2- CYCLOHEXEN-1-YL)AMINO)-D-CHIRO-INOSITOL
Systematic Name English
D-CHIRO-INOSITOL, 1,5,6-TRIDEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-5-(HYDROXYMETHYL)-1-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-
Systematic Name English
VALIDAMYCIN A [HSDB]
Common Name English
Code System Code Type Description
CHEBI
90869
Created by admin on Sat Dec 16 08:51:42 GMT 2023 , Edited by admin on Sat Dec 16 08:51:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID4058073
Created by admin on Sat Dec 16 08:51:42 GMT 2023 , Edited by admin on Sat Dec 16 08:51:42 GMT 2023
PRIMARY
PUBCHEM
443629
Created by admin on Sat Dec 16 08:51:42 GMT 2023 , Edited by admin on Sat Dec 16 08:51:42 GMT 2023
PRIMARY
CAS
37248-47-8
Created by admin on Sat Dec 16 08:51:42 GMT 2023 , Edited by admin on Sat Dec 16 08:51:42 GMT 2023
PRIMARY
FDA UNII
313E9620QS
Created by admin on Sat Dec 16 08:51:42 GMT 2023 , Edited by admin on Sat Dec 16 08:51:42 GMT 2023
PRIMARY
MERCK INDEX
m11364
Created by admin on Sat Dec 16 08:51:42 GMT 2023 , Edited by admin on Sat Dec 16 08:51:42 GMT 2023
PRIMARY Merck Index
HSDB
6745
Created by admin on Sat Dec 16 08:51:42 GMT 2023 , Edited by admin on Sat Dec 16 08:51:42 GMT 2023
PRIMARY
CHEBI
29703
Created by admin on Sat Dec 16 08:51:42 GMT 2023 , Edited by admin on Sat Dec 16 08:51:42 GMT 2023
PRIMARY
WIKIPEDIA
Validamycin
Created by admin on Sat Dec 16 08:51:42 GMT 2023 , Edited by admin on Sat Dec 16 08:51:42 GMT 2023
PRIMARY
ALANWOOD
validamycin
Created by admin on Sat Dec 16 08:51:42 GMT 2023 , Edited by admin on Sat Dec 16 08:51:42 GMT 2023
PRIMARY