EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224384 - Naphthomycin I

ChEBI IDCHEBI:224384
ChEBI NameNaphthomycin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H54N2O12S
Net Charge0
Average Mass846.996
Monoisotopic Mass846.33975
SMILESCC(=O)N[C@@H](CSC1=C2NC(=O)/C(C)=C\C=C/C=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O)C(=O)O
InChIInChI=1S/C45H54N2O12S/c1-22-12-10-9-11-13-25(4)44(57)47-37-41(55)31-19-28(7)40(54)36(35(31)42(56)43(37)60-21-32(45(58)59)46-29(8)48)39(53)27(6)18-26(5)38(52)24(3)15-17-30(49)16-14-23(2)34(51)20-33(22)50/h9-15,17-19,22,24,26,30,32-33,38,49-50,52,54H,16,20-21H2,1-8H3,(H,46,48)(H,47,57)(H,58,59)/b11-9-,12-10+,17-15+,23-14+,25-13-,27-18+/t22-,24-,26-,30-,32-,33-,38-/m0/s1
InChIKeyYWGUQBLAJYVMGL-YNQAWJJGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9820235)
ChEBI Ontology
Outgoing Relation(s)
Naphthomycin I (CHEBI:224384) is a azamacrocycle (CHEBI:52898)
Naphthomycin I (CHEBI:224384) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2R)-2-acetamido-3-[[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-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]propanoic acid
Manual XrefsDatabases
10389025ChemSpider