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CHEBI:201757 - RS-22A

ChEBI IDCHEBI:201757
ChEBI NameRS-22A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H91N3O17
Net Charge0
Average Mass1054.326
Monoisotopic Mass1053.63485
SMILESC/C1=C/C=C\C(C)C(C(C)CCC/C=C/CCCN=C(N)N)OC(=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)CC1O)CC(O)C2O
InChIInChI=1S/C54H91N3O17/c1-32-16-12-13-20-49(68)73-51(35(4)17-11-9-7-8-10-14-23-57-53(55)56)36(5)19-15-18-33(2)43(61)26-39(59)24-38(58)25-40(72-50(69)30-48(66)67)27-41-28-46(64)52(70)54(71,74-41)31-47(65)34(3)21-22-42(60)37(6)45(63)29-44(32)62/h7-8,12-13,15-16,18-20,32,34-47,51-52,58-65,70-71H,9-11,14,17,21-31H2,1-6H3,(H,66,67)(H4,55,56,57)/b8-7+,16-12-,19-15-,20-13-,33-18-
InChIKeyRMHABCFPUZPVNZ-LGMUKPSWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceusniger (ncbitaxon:68280) - PubMed (7775264)
ChEBI Ontology
Outgoing Relation(s)
RS-22A (CHEBI:201757) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10E,12E,18E,20E)-15-[(E)-10-(diaminomethylideneamino)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
78444635ChemSpider