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CHEBI:202804 - Dihydroniphimycin

ChEBI IDCHEBI:202804
ChEBI NameDihydroniphimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H105N3O18
Net Charge0
Average Mass1144.492
Monoisotopic Mass1143.73931
SMILESCN=C(N)NCCC/C=C/CCCC(C)CC(C)C1C/C=C\C=C/C(O)C(C)C(O)CC(O)CC(OC(=O)CC(=O)O)CC2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)C(C)C(O)C(C)C(O)C(C)CCC(O)C(C)C(=O)O1)O2
InChIInChI=1S/C59H105N3O18/c1-34(19-15-12-10-11-13-18-26-62-58(60)61-9)27-37(4)51-21-17-14-16-20-45(64)38(5)48(67)29-42(63)28-43(78-53(72)32-52(70)71)30-44-31-49(68)56(75)59(77,80-44)33-50(69)35(2)22-24-46(65)39(6)55(74)41(8)54(73)36(3)23-25-47(66)40(7)57(76)79-51/h10-11,14,16-17,20,34-51,54-56,63-69,73-75,77H,12-13,15,18-19,21-33H2,1-9H3,(H,70,71)(H3,60,61,62)/b11-10+,17-14-,20-16-
InChIKeyQJBZWXDRESIVAD-XTHAQYFTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (10966080)
ChEBI Ontology
Outgoing Relation(s)
Dihydroniphimycin (CHEBI:202804) is a macrolide (CHEBI:25106)
IUPAC Name 
3-oxo-3-[[(10Z,12Z)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy]propanoic acid
Manual XrefsDatabases
78444028ChemSpider