EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223258 - Naphthomycin B

ChEBI IDCHEBI:223258
ChEBI NameNaphthomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H44ClNO9
Net Charge0
Average Mass706.232
Monoisotopic Mass705.27046
SMILESC/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(Cl)=C(NC(=O)/C=C\C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O
InChIInChI=1S/C39H44ClNO9/c1-20-11-9-7-8-10-12-30(45)41-34-33(40)39(50)31-27(38(34)49)18-25(6)37(48)32(31)36(47)24(5)17-23(4)35(46)22(3)14-16-26(42)15-13-21(2)29(44)19-28(20)43/h7-14,16-18,20,22-23,26,28,35,42-43,46,48H,15,19H2,1-6H3,(H,41,45)/b8-7+,11-9-,12-10-,16-14+,21-13+,24-17+/t20-,22-,23-,26-,28-,35-/m0/s1
InChIKeyPGLCKEFYXCGUGA-DLCSPTBOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6874565)
ChEBI Ontology
Outgoing Relation(s)
Naphthomycin B (CHEBI:223258) is a azamacrocycle (CHEBI:52898)
Naphthomycin B (CHEBI:223258) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
Manual XrefsDatabases
29272097ChemSpider