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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H54O14
Molecular Weight 686.7842
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Neutramycin

SMILES

[H][C@@]4(O[C@H]1CC[C@](C)(O)C(=O)\C=C\[C@@H]2O[C@H]2[C@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)[C@@H](C)OC(=O)\C=C\[C@@H]1C)O[C@H](C)C[C@H](OC)[C@H]4O

InChI

InChIKey=RZLRMVZBGPHYJA-XXJPCBNGSA-N
InChI=1S/C34H54O14/c1-17-9-12-26(36)45-19(3)21(16-43-33-31(42-8)30(41-7)27(37)20(4)46-33)29-23(47-29)10-11-25(35)34(5,39)14-13-22(17)48-32-28(38)24(40-6)15-18(2)44-32/h9-12,17-24,27-33,37-39H,13-16H2,1-8H3/b11-10+,12-9+/t17-,18+,19+,20+,21+,22-,23-,24-,27+,28+,29-,30+,31+,32-,33+,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H54O14
Molecular Weight 686.7842
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:08:47 GMT 2023
Edited
by admin
on Fri Dec 15 19:08:47 GMT 2023
Record UNII
IGP1MQF6TE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Neutramycin
INN   USAN  
USAN   INN  
Official Name English
4,17-DIOXABICYCLO(14.1.0)HEPTADECA-6,14-DIENE-5,13-DIONE, 2-(((6-DEOXY-2,3-DI-O-METHYL-.BETA.-D-ALLOPYRANOSYL)OXY)METHYL)-9-((4,6-DIDEOXY-3-O-METHYL-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-12-HYDROXY-3,8,12-TRIMETHYL-, (1S,2R,3R,6E,8S,9S,12S,14E,16S)-
Systematic Name English
LL-705W
Code English
neutramycin [INN]
Common Name English
CHALCOMYCIN, 6-DEMETHYL-
Common Name English
NEUTRAMYCIN [USAN]
Common Name English
AE-705W
Code English
NEUTRAMYCIN A
Common Name English
Code System Code Type Description
INN
1808
Created by admin on Fri Dec 15 19:08:47 GMT 2023 , Edited by admin on Fri Dec 15 19:08:47 GMT 2023
PRIMARY
PUBCHEM
6445534
Created by admin on Fri Dec 15 19:08:47 GMT 2023 , Edited by admin on Fri Dec 15 19:08:47 GMT 2023
PRIMARY
FDA UNII
IGP1MQF6TE
Created by admin on Fri Dec 15 19:08:47 GMT 2023 , Edited by admin on Fri Dec 15 19:08:47 GMT 2023
PRIMARY
CAS
1404-08-6
Created by admin on Fri Dec 15 19:08:47 GMT 2023 , Edited by admin on Fri Dec 15 19:08:47 GMT 2023
PRIMARY
NCI_THESAURUS
C170215
Created by admin on Fri Dec 15 19:08:47 GMT 2023 , Edited by admin on Fri Dec 15 19:08:47 GMT 2023
PRIMARY
SMS_ID
100000084181
Created by admin on Fri Dec 15 19:08:47 GMT 2023 , Edited by admin on Fri Dec 15 19:08:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID101023444
Created by admin on Fri Dec 15 19:08:47 GMT 2023 , Edited by admin on Fri Dec 15 19:08:47 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104424
Created by admin on Fri Dec 15 19:08:47 GMT 2023 , Edited by admin on Fri Dec 15 19:08:47 GMT 2023
PRIMARY
EVMPD
SUB09213MIG
Created by admin on Fri Dec 15 19:08:47 GMT 2023 , Edited by admin on Fri Dec 15 19:08:47 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY