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CHEBI:202748 - Naphthomycin M

ChEBI IDCHEBI:202748
ChEBI NameNaphthomycin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H49NO11S
Net Charge0
Average Mass775.917
Monoisotopic Mass775.30263
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(SCC(=O)O)=C(NC(=O)C(C)=CC=CC=C[C@H](C)[C@@H](O)CC1=O)C3=O
InChIInChI=1S/C42H49NO11S/c1-21-11-9-8-10-12-24(4)42(54)43-35-39(52)29-18-27(7)38(51)34(33(29)40(53)41(35)55-20-32(47)48)37(50)26(6)17-25(5)36(49)23(3)14-16-28(44)15-13-22(2)31(46)19-30(21)45/h8-14,16-18,21,23,25,28,30,36,44-45,49,51H,15,19-20H2,1-7H3,(H,43,54)(H,47,48)/t21-,23-,25-,28-,30-,36-/m0/s1
InChIKeyABYOOPVZTWKBKI-ZEULBBAFSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CS (ncbitaxon:876169) - PubMed (22742732)
ChEBI Ontology
Outgoing Relation(s)
Naphthomycin M (CHEBI:202748) is a azamacrocycle (CHEBI:52898)
Naphthomycin M (CHEBI:202748) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
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]acetic acid