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Details

Stereochemistry EPIMERIC
Molecular Formula C59H88N2O17
Molecular Weight 1097.3332
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PERIMYCIN A

SMILES

[H][C@@]4(O[C@@H]1C[C@@H]2O[C@@](O)(C[C@H](O)[C@H]2C)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)C[C@@H](O)CC(=O)O[C@H]([C@@H](C)CCC(O)CC(=O)C3=CC=C(NC)C=C3)[C@@H](C)\C=C\C=C\C=CC=C\C=C\C=C\C=C\1)O[C@H](C)[C@@H](N)[C@H](O)[C@@H]4O

InChI

InChIKey=SIJFZOSSGXKJCI-FTNWOYNKSA-N
InChI=1S/C59H88N2O17/c1-36-18-16-14-12-10-8-6-7-9-11-13-15-17-19-49(76-58-56(73)55(72)54(60)39(4)75-58)33-52-38(3)51(70)35-59(74,78-52)34-48(68)30-46(66)28-44(64)26-43(63)27-45(65)29-47(67)32-53(71)77-57(36)37(2)20-25-42(62)31-50(69)40-21-23-41(61-5)24-22-40/h6-19,21-24,36-39,42-44,46-49,51-52,54-58,61-64,66-68,70,72-74H,20,25-35,60H2,1-5H3/b7-6-,10-8-,11-9+,14-12+,15-13+,18-16+,19-17+/t36-,37-,38+,39+,42?,43+,44-,46-,47+,48-,49-,51-,52-,54+,55-,56-,57-,58-,59+/m0/s1

HIDE SMILES / InChI

Molecular Formula C59H88N2O17
Molecular Weight 1097.3332
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 18 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:39:18 GMT 2023
Edited
by admin
on Fri Dec 15 19:39:18 GMT 2023
Record UNII
J1A6A7WH82
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PERIMYCIN A
MI  
Common Name English
PERIMYCIN A [MI]
Common Name English
Code System Code Type Description
PUBCHEM
10534218
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY
MERCK INDEX
m8554
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY Merck Index
CAS
62327-61-1
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID001037406
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY
FDA UNII
J1A6A7WH82
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY
MESH
C096636
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY