CHEBI:230873 - 17-Aminogeldanamycin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 17-Aminogeldanamycin
ChEBI ID CHEBI:230873
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39N3O8
Net Charge 0
Average Mass 545.633
Monoisotopic Mass 545.27372
InChI InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7-,15-8+,17-12+/t14-,16+,21+,22+,24-,26+/m1/s1
InChIKey XYFFWTYOFPSZRM-TWNAANEASA-N
SMILES O([C@H]1C[C@@H](CC2=C(N)C(=O)C=C(NC(=O)C(=CC=C[C@H](OC)[C@@H](OC(=O)N)C(=C[C@@H]([C@H]1O)C)C)C)C2=O)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 17-Aminogeldanamycin (CHEBI:230873) is a enamine (CHEBI:47989)
17-Aminogeldanamycin (CHEBI:230873) is a enone (CHEBI:51689)
IUPAC Name
[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Manual Xrefs Databases
23205914 ChemSpider
DB13023 KEGG DRUG
View more database links