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CHEBI:222257 - Depsibosamycin B

ChEBI IDCHEBI:222257
ChEBI NameDepsibosamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H65N9O17
Net Charge0
Average Mass1064.116
Monoisotopic Mass1063.44984
SMILESCOc1cc(O)ccc1C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(N)=O)[C@@H](O)C(=O)O)COC(=O)CNC(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C50H65N9O17/c1-24(2)16-32-42(65)52-22-39(63)76-23-37(47(70)56-36(45(68)53-32)20-28-10-15-31(62)21-38(28)75-5)57-48(71)40(41(64)49(72)73)59-46(69)33(17-25(3)4)54-43(66)34(18-26-6-11-29(60)12-7-26)55-44(67)35(58-50(51)74)19-27-8-13-30(61)14-9-27/h6-15,21,24-25,32-37,40-41,60-62,64H,16-20,22-23H2,1-5H3,(H,52,65)(H,53,68)(H,54,66)(H,55,67)(H,56,70)(H,57,71)(H,59,69)(H,72,73)(H3,51,58,74)/t32-,33-,34+,35-,36+,37-,40-,41+/m0/s1
InChIKeyCGUZOSYTHIYGFW-VSGXLYRTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (34203385)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Depsibosamycin B (CHEBI:222257) is a cyclodepsipeptide (CHEBI:35213)