EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214788 - Tsukubachelin

ChEBI IDCHEBI:214788
ChEBI NameTsukubachelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H49N9O13
Net Charge0
Average Mass707.739
Monoisotopic Mass707.34498
SMILESCN[C@@H](CCCN(O)C(=O)C(CO)NC(=O)[C@H](CCCN(O)C=O)NC)C(=O)NC(CO)C(=O)NC(CO)C(=O)N[C@@H]1CCCN(O)C1=O
InChIInChI=1S/C27H49N9O13/c1-28-16(6-3-9-34(47)15-40)23(42)33-21(14-39)27(46)36(49)10-4-7-17(29-2)22(41)31-20(13-38)25(44)32-19(12-37)24(43)30-18-8-5-11-35(48)26(18)45/h15-21,28-29,37-39,47-49H,3-14H2,1-2H3,(H,30,43)(H,31,41)(H,32,44)(H,33,42)/t16-,17-,18+,19?,20?,21?/m0/s1
InChIKeyIGLIXLYRGYBSKT-XITSEDJASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies TM-74 (ncbitaxon:1122270) - DOI (10.1002/ejoc.201100189)
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 (CHEBI:214788) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-5-[ormyl(hydroxy)amino]-N-[3-hydroxy-1-[hydroxy-[(4S)-5-[[3-hydroxy-1-[[3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-(methylamino)-5-oxopentyl]amino]-1-oxopropan-2-yl]-2-(methylamino)pentanamide
Manual XrefsDatabases
28288707ChemSpider