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

Details

Stereochemistry ABSOLUTE
Molecular Formula C72H69ClN8O28
Molecular Weight 1529.808
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEICOPLANIN A3-1

SMILES

[H][C@@]%13(O[C@H]1[C@@H]2NC(=O)[C@]([H])(NC(=O)[C@]3([H])NC(=O)[C@@]4([H])NC(=O)[C@@H](CC5=CC=C(OC6=CC(OC7=C(O)C=C1C=C7)=CC3=C6)C(Cl)=C5)NC(=O)[C@H](N)C8=CC(OC9=CC4=CC(O)=C9)=C(O)C=C8)C%10=CC(=C(O)C=C%10)C%11=C(C=C(O)C=C%11O[C@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%12O)[C@H](NC2=O)C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%13NC(C)=O

InChI

InChIKey=DYTVXQIVJILNOQ-PIRWUWTNSA-N
InChI=1S/C72H69ClN8O28/c1-25(84)75-56-60(92)58(90)48(23-82)107-71(56)109-63-29-5-9-45(43(89)17-29)104-36-15-31-14-35(22-36)103-44-8-2-26(10-39(44)73)11-40-64(95)77-53(30-12-32(85)19-34(13-30)105-46-18-27(3-7-42(46)88)51(74)65(96)76-40)67(98)79-54(31)68(99)78-52-28-4-6-41(87)37(16-28)50-38(55(70(101)102)80-69(100)57(63)81-66(52)97)20-33(86)21-47(50)106-72-62(94)61(93)59(91)49(24-83)108-72/h2-10,12-22,40,48-49,51-63,71-72,82-83,85-94H,11,23-24,74H2,1H3,(H,75,84)(H,76,96)(H,77,95)(H,78,99)(H,79,98)(H,80,100)(H,81,97)(H,101,102)/t40-,48-,49-,51-,52-,53+,54-,55+,56-,57+,58-,59-,60-,61+,62+,63-,71+,72+/m1/s1

HIDE SMILES / InChI

Molecular Formula C72H69ClN8O28
Molecular Weight 1529.808
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:13:15 GMT 2023
Edited
by admin
on Sat Dec 16 08:13:15 GMT 2023
Record UNII
SR8H9JSC9D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEICOPLANIN A3-1
Common Name English
RISTOMYCIN A AGLYCONE, 34-O-(2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)-22,31-DICHLORO-7-DEMETHYL-64-O-DEMETHYL-19-DEOXY-42-O-.ALPHA.-D-MANNOPYRANOSYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
16152170
Created by admin on Sat Dec 16 08:13:15 GMT 2023 , Edited by admin on Sat Dec 16 08:13:15 GMT 2023
PRIMARY
CAS
93616-27-4
Created by admin on Sat Dec 16 08:13:15 GMT 2023 , Edited by admin on Sat Dec 16 08:13:15 GMT 2023
PRIMARY
CHEBI
34999
Created by admin on Sat Dec 16 08:13:15 GMT 2023 , Edited by admin on Sat Dec 16 08:13:15 GMT 2023
PRIMARY
FDA UNII
SR8H9JSC9D
Created by admin on Sat Dec 16 08:13:15 GMT 2023 , Edited by admin on Sat Dec 16 08:13:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID30872353
Created by admin on Sat Dec 16 08:13:15 GMT 2023 , Edited by admin on Sat Dec 16 08:13:15 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105780
Created by admin on Sat Dec 16 08:13:15 GMT 2023 , Edited by admin on Sat Dec 16 08:13:15 GMT 2023
PRIMARY