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CHEBI:198921 - RK-1355B

ChEBI IDCHEBI:198921
ChEBI NameRK-1355B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H64N10O15S2
Net Charge0
Average Mass1157.295
Monoisotopic Mass1156.39940
SMILESCCSC1C2C(=O)N(C)C3(CC3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C(CS1=O)C(=O)N(C)C1(CC1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C
InChIInChI=1S/C54H64N10O15S2/c1-10-80-50-41-49(74)64(9)54(22-27(54)3)52(76)79-24-34(59-44(69)39-37(65)19-30-15-11-13-17-32(30)57-39)42(67)55-28(4)46(71)61(6)36(25-81(50)77)48(73)63(8)53(21-26(53)2)51(75)78-23-35(43(68)56-29(5)47(72)62(41)7)60-45(70)40-38(66)20-31-16-12-14-18-33(31)58-40/h11-20,26-29,34-36,41,50,65-66H,10,21-25H2,1-9H3,(H,55,67)(H,56,68)(H,59,69)(H,60,70)
InChIKeyUEKGGILKONDTLM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24496142)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
RK-1355B (CHEBI:198921) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
78443895ChemSpider