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CHEBI:203925 - Shurimycin B

ChEBI IDCHEBI:203925
ChEBI NameShurimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H97N3O17
Net Charge0
Average Mass1096.407
Monoisotopic Mass1095.68180
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)C(C)C(O)/C(C)=C\C=C/C1C)CC(O)C2O
InChIInChI=1S/C57H97N3O17/c1-34-19-15-16-23-51(70)76-54(37(4)20-14-12-10-11-13-17-26-60-56(58-8)59-9)38(5)22-18-21-36(3)53(72)40(7)46(64)28-41(61)27-42(75-52(71)32-50(68)69)29-43-30-48(66)55(73)57(74,77-43)33-49(67)35(2)24-25-44(62)39(6)47(65)31-45(34)63/h10-11,15-16,18-19,21-23,34-35,37-49,53-55,61-67,72-74H,12-14,17,20,24-33H2,1-9H3,(H,68,69)(H2,58,59,60)/b11-10+,19-15-,22-18-,23-16-,36-21-
InChIKeyFTSHIRULWVXAOC-RGFQABODSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8040074)
ChEBI Ontology
Outgoing Relation(s)
Shurimycin B (CHEBI:203925) 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-8,10,14,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
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78443827ChemSpider