CHEBI:199149 - Napyradiomycin 3

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 Napyradiomycin 3
ChEBI ID CHEBI:199149
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H27ClO6
Net Charge 0
Average Mass 458.940
Monoisotopic Mass 458.14962
InChI InChI=1S/C25H27ClO6/c1-12-5-6-17(27)13(2)9-14-18(28)10-15-20(21(14)29)22(30)16-11-19(26)24(3,4)32-25(16,8-7-12)23(15)31/h7,10-11,17,19,27-29H,2,5-6,8-9H2,1,3-4H3/b12-7-/t17-,19-,25-/m1/s1
InChIKey QNUSKIGTELENRX-WHPLOJHPSA-N
SMILES Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(CC[C@H](C(C4)=C)O)C)OC1(C)C)=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Napyradiomycin 3 (CHEBI:199149) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin 3 (CHEBI:199149) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,3Z,7R,18R)-18-chloro-7,11,22-trihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,10,12,14(22),16-pentaene-15,21-dione
Manual Xref Database
78436463 ChemSpider
View more database links