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CHEBI:208804 - 17-O-methylniphimycin

ChEBI IDCHEBI:208804
ChEBI Name17-O-methylniphimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H105N3O18
Net Charge0
Average Mass1156.503
Monoisotopic Mass1155.73931
SMILESCN=C(N)NCCC/C=C/CCC[C@H](C)C[C@H](C)[C@H]1OC(=O)[C@H](C)[C@H](O)/C=C\[C@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@@H](O)CC[C@H](C)[C@H](O)C[C@]2(OC)O[C@H](C[C@@H](OC(=O)CC(=O)O)C[C@H](O)C[C@@H](O)[C@H](C)[C@H](O)/C=C\C=C/[C@@H]1C)C[C@H](O)[C@H]2O
InChIInChI=1S/C60H105N3O18/c1-35(19-15-13-11-12-14-18-26-63-59(61)62-9)27-39(5)56-38(4)20-16-17-21-46(65)40(6)50(69)29-43(64)28-44(79-55(75)33-54(73)74)30-45-31-52(71)57(76)60(78-10,81-45)34-53(72)37(3)23-24-47(66)41(7)51(70)32-49(68)36(2)22-25-48(67)42(8)58(77)80-56/h11-12,16-17,20-22,25,35-53,56-57,64-72,76H,13-15,18-19,23-24,26-34H2,1-10H3,(H,73,74)(H3,61,62,63)/b12-11+,20-16-,21-17-,25-22-/t35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48+,49+,50+,51-,52-,53+,56-,57+,60-/m0/s1
InChIKeyRLSMFTAMWBMTGW-IEXJXWCNSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies IMB7-145 (ncbitaxon:2070498) - PubMed (29308897)
ChEBI Ontology
Outgoing Relation(s)
17-O-methylniphimycin (CHEBI:208804) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(1S,3S,5R,7R,8S,9R,10E,12E,14S,15R,18R,19R,20E,22S,23R,25S,26R,27S,30S,31R,33S,34R,35S)-5,7,9,19,23,25,27,31,34,35-decahydroxy-33-methoxy-8,14,18,22,26,30-hexamethyl-15-[(E,2S,4S)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxopropanoic acid
Manual XrefsDatabases
64808813ChemSpider