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CHEBI:214888 - RS-22C

ChEBI IDCHEBI:214888
ChEBI NameRS-22C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H95N3O17
Net Charge0
Average Mass1082.380
Monoisotopic Mass1081.66615
SMILESCN=C(NC)NCCC/C=C/CCCC(C)C1OC(=O)/C=C\C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)CC(O)/C(C)=C\C=C/C1C)CC(O)C2O
InChIInChI=1S/C56H95N3O17/c1-34-18-14-15-22-51(70)75-53(37(4)19-13-11-9-10-12-16-25-59-55(57-7)58-8)38(5)21-17-20-35(2)45(63)28-41(61)26-40(60)27-42(74-52(71)32-50(68)69)29-43-30-48(66)54(72)56(73,76-43)33-49(67)36(3)23-24-44(62)39(6)47(65)31-46(34)64/h9-10,14-15,17-18,20-22,34,36-49,53-54,60-67,72-73H,11-13,16,19,23-33H2,1-8H3,(H,68,69)(H2,57,58,59)/b10-9+,18-14-,21-17-,22-15-,35-20-
InChIKeyQZHGHZHNPQLENX-FGMPRJMCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceusniger (ncbitaxon:68280) - PubMed (7775264)
ChEBI Ontology
Outgoing Relation(s)
RS-22C (CHEBI:214888) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10E,12E,18E,20E)-15-[(E)-10-[(N,N'-dimethylcarbamimidoyl)amino]dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
Manual XrefsDatabases
78444666ChemSpider