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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H43N3O9
Molecular Weight 601.6878
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 22-HYDROXYL-17AAG

SMILES

CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(CO)=C\C=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

InChI

InChIKey=QDNATECXGMSJCC-FIRNZEAHSA-N
InChI=1S/C31H43N3O9/c1-7-11-33-26-21-12-17(2)13-25(42-6)27(37)18(3)14-19(4)29(43-31(32)40)24(41-5)10-8-9-20(16-35)30(39)34-22(28(21)38)15-23(26)36/h7-10,14-15,17-18,24-25,27,29,33,35,37H,1,11-13,16H2,2-6H3,(H2,32,40)(H,34,39)/b10-8-,19-14+,20-9+/t17-,18+,24+,25+,27-,29+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
22-HYDROXYL-17AAG
Common Name English
17AAG METABOLITE M10
Common Name English
GELDANAMYCIN, 17-DEMETHOXY-23-HYDROXY-17-(2-PROPEN-1-YLAMINO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
154584791
Created by admin on Sat Dec 16 16:11:57 GMT 2023 , Edited by admin on Sat Dec 16 16:11:57 GMT 2023
PRIMARY
CAS
929689-94-1
Created by admin on Sat Dec 16 16:11:57 GMT 2023 , Edited by admin on Sat Dec 16 16:11:57 GMT 2023
PRIMARY
FDA UNII
AVY8ATP1VZ
Created by admin on Sat Dec 16 16:11:57 GMT 2023 , Edited by admin on Sat Dec 16 16:11:57 GMT 2023
PRIMARY