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CHEBI:222847 - Neocopiamycin A

ChEBI IDCHEBI:222847
ChEBI NameNeocopiamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H93N3O17
Net Charge0
Average Mass1044.331
Monoisotopic Mass1043.65050
SMILESCC(CCC/C=C/CCCN=C(N)N)CC(C)C1OC(=O)C=CC(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)C(C)C(O)/C=C\C1C)CC(O)C2O
InChIInChI=1S/C53H93N3O17/c1-30(14-12-10-8-9-11-13-21-56-52(54)55)22-34(5)50-33(4)16-19-41(59)35(6)43(61)24-37(57)23-38(71-49(68)28-47(65)66)25-39-26-45(63)51(69)53(70,73-39)29-46(64)32(3)15-18-40(58)36(7)44(62)27-42(60)31(2)17-20-48(67)72-50/h8-9,16-17,19-20,30-46,50-51,57-64,69-70H,10-15,18,21-29H2,1-7H3,(H,65,66)(H4,54,55,56)/b9-8+,19-16-,20-17?
InChIKeyGZWCSBWYVZFWGF-QOVCSGHISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6546749)
ChEBI Ontology
Outgoing Relation(s)
Neocopiamycin A (CHEBI:222847) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10Z)-13-[(E)-12-(diaminomethylideneamino)-4-methyldodec-8-en-2-yl]-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid