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CHEBI:214831 - Tsukubachelin B

ChEBI IDCHEBI:214831
ChEBI NameTsukubachelin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H54N10O12
Net Charge0
Average Mass734.809
Monoisotopic Mass734.39227
SMILESCN[C@@H](CCCN(O)C=O)C(=O)NC(CO)C(=O)N(O)CCC[C@H](NC)C(=O)N[C@@H](CCCN)C(=O)NC(CO)C(=O)N[C@@H]1CCCN(O)C1=O
InChIInChI=1S/C29H54N10O12/c1-31-18(8-4-12-37(49)17-42)25(44)36-23(16-41)29(48)39(51)13-5-9-19(32-2)24(43)33-20(7-3-11-30)26(45)35-22(15-40)27(46)34-21-10-6-14-38(50)28(21)47/h17-23,31-32,40-41,49-51H,3-16,30H2,1-2H3,(H,33,43)(H,34,46)(H,35,45)(H,36,44)/t18-,19-,20-,21+,22?,23?/m0/s1
InChIKeyUOBSAMDBIABJEC-GTCOKDGPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies TM-74 (ncbitaxon:1122270) - PubMed (22712554)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tsukubachelin B (CHEBI:214831) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-5-[[2-[[(2S)-5-[ormyl(hydroxy)amino]-2-(methylamino)pentanoyl]amino]-3-hydroxypropanoyl]-hydroxyamino]-2-(methylamino)pentanoyl]amino]-N-[3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]pentanamide
Manual XrefsDatabases
29355789ChemSpider