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CHEBI:204292 - Naphthomycin N

ChEBI IDCHEBI:204292
ChEBI NameNaphthomycin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC82H97N3O18S
Net Charge0
Average Mass1444.748
Monoisotopic Mass1443.64878
SMILESCC1=CC[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(NCCSC2=C4NC(=O)C(C)=CC=CC=C[C@H](C)[C@@H](O)CC(=O)C(C)=CC[C@H](O)C=C[C@H](C)[C@H](O)[C@@H](C)C=C(C)C(=O)c5c(O)c(C)cc(c5C2=O)C4=O)=C(NC(=O)C(C)=CC=CC=C[C@H](C)[C@@H](O)CC1=O)C3=O
InChIInChI=1S/C82H97N3O18S/c1-41-21-17-15-19-23-47(7)81(102)84-68-67(78(100)63-57(76(68)98)37-53(13)74(96)65(63)72(94)51(11)35-49(9)70(92)45(5)27-31-55(86)29-25-43(3)61(90)39-59(41)88)83-33-34-104-80-69-77(99)58-38-54(14)75(97)66(64(58)79(80)101)73(95)52(12)36-50(10)71(93)46(6)28-32-56(87)30-26-44(4)62(91)40-60(89)42(2)22-18-16-20-24-48(8)82(103)85-69/h15-28,31-32,35-38,41-42,45-46,49-50,55-56,59-60,70-71,83,86-89,92-93,96-97H,29-30,33-34,39-40H2,1-14H3,(H,84,102)(H,85,103)/t41-,42-,45-,46-,49-,50-,55-,56-,59-,60-,70-,71-/m0/s1
InChIKeyVYEVYPKXBMGTHG-MUUWKGFGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CS (ncbitaxon:876169) - PubMed (22742732)
ChEBI Ontology
Outgoing Relation(s)
Naphthomycin N (CHEBI:204292) is a azamacrocycle (CHEBI:52898)
Naphthomycin N (CHEBI:204292) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(9S,10S,11S,14S,20S,21S)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-31-[2-[[(9S,10S,11S,14S,20S,21S)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulanyl]ethylamino]-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