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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32N6O14
Molecular Weight 616.532
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of POLYOXIN A

SMILES

[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)N2C=C(CO)C(=O)NC2=O)[C@H](NC(=O)[C@@H](N)[C@H](O)[C@@H](O)COC(N)=O)C(=O)N3C\C(=C\C)[C@H]3C(O)=O

InChI

InChIKey=PQAGMWMKVWTHJU-ATETYRDMSA-N
InChI=1S/C23H32N6O14/c1-2-7-3-28(12(7)21(38)39)19(37)11(26-18(36)10(24)13(32)9(31)6-42-22(25)40)16-14(33)15(34)20(43-16)29-4-8(5-30)17(35)27-23(29)41/h2,4,9-16,20,30-34H,3,5-6,24H2,1H3,(H2,25,40)(H,26,36)(H,38,39)(H,27,35,41)/b7-2-/t9-,10-,11-,12-,13+,14-,15+,16+,20+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
POLYOXIN A
MI  
Common Name English
(S-(Z))-1-(5-((2-AMINO-5-O-(AMINOCARBONYL)-2-DEOXY-L-XYLONOYL)AMINO)-1,5-DIDEOXY-1-(3,4-DIHYDRO-5-(HYDROXYMETHYL)2,4-DIOXO-1(2H)-PYRIMIDINYL)-.BETA.-D-ALLOFURANURONOYL)-3-ETHYLIDENE-2-AZETIDINECARBOXYLIC ACID
Common Name English
2-AZETIDINECARBOXYLIC ACID, 1-(5-((2-AMINO-5-O-(AMINOCARBONYL)-2-DEOXY-L-XYLONOYL)AMINO)-1,5-DIDEOXY-1-(3,4-DIHYDRO-5-(HYDROXYMETHYL)-2,4-DIOXO-1(2H)-PYRIMIDINYL)-.BETA.-D-ALLOFURANURONOYL)-3-ETHYLIDENE-, (2S,3Z)-
Common Name English
POLYOXIN A [MI]
Common Name English
Code System Code Type Description
FDA UNII
FGY211ZGNZ
Created by admin on Sat Dec 16 09:55:29 GMT 2023 , Edited by admin on Sat Dec 16 09:55:29 GMT 2023
PRIMARY
PUBCHEM
6440960
Created by admin on Sat Dec 16 09:55:29 GMT 2023 , Edited by admin on Sat Dec 16 09:55:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID601318321
Created by admin on Sat Dec 16 09:55:29 GMT 2023 , Edited by admin on Sat Dec 16 09:55:29 GMT 2023
PRIMARY
MERCK INDEX
m8966
Created by admin on Sat Dec 16 09:55:29 GMT 2023 , Edited by admin on Sat Dec 16 09:55:29 GMT 2023
PRIMARY Merck Index
CAS
19396-03-3
Created by admin on Sat Dec 16 09:55:29 GMT 2023 , Edited by admin on Sat Dec 16 09:55:29 GMT 2023
PRIMARY