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CHEBI:226346 - Fijimycin B

ChEBI IDCHEBI:226346
ChEBI NameFijimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H66N8O11
Net Charge0
Average Mass859.035
Monoisotopic Mass858.48510
SMILESCC(C)C[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C(C)C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]2C[C@@H](O)CN2C1=O
InChIInChI=1S/C42H66N8O11/c1-21(2)16-28-40(58)50-19-27(51)18-29(50)41(59)47(10)20-32(53)49(12)35(24(7)23(5)6)38(56)44-25(8)39(57)48(11)30(17-22(3)4)42(60)61-26(9)33(36(54)45-28)46-37(55)34-31(52)14-13-15-43-34/h13-15,21-30,33,35,51-52H,16-20H2,1-12H3,(H,44,56)(H,45,54)(H,46,55)/t24?,25-,26+,27+,28+,29+,30-,33-,35-/m0/s1
InChIKeyJINULSLKDMMSQD-LUTITKDXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CNS-575 (ncbitaxon:661125) - PubMed (21745747)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Fijimycin B (CHEBI:226346) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-hydroxy-N-[(3R,6S,7R,10S,13S,16S,22R,24R)-24-hydroxy-7,11,13,17,20-pentamethyl-16-(3-methylbutan-2-yl)-3,10-bis(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
Manual XrefsDatabases
27025754ChemSpider