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CHEBI:206258 - Oxachelin B

ChEBI IDCHEBI:206258
ChEBI NameOxachelin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39N7O12
Net Charge0
Average Mass653.646
Monoisotopic Mass653.26567
SMILESO=CN(O)CCC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)c1ccccc1O)C(=O)NCCC(=O)N[C@@H]1CCCN(O)C1=O
InChIInChI=1S/C27H39N7O12/c35-13-19(31-23(40)16-5-1-2-8-21(16)38)26(43)32-20(14-36)25(42)30-17(6-3-11-33(45)15-37)24(41)28-10-9-22(39)29-18-7-4-12-34(46)27(18)44/h1-2,5,8,15,17-20,35-36,38,45-46H,3-4,6-7,9-14H2,(H,28,41)(H,29,39)(H,30,42)(H,31,40)(H,32,43)/t17-,18-,19+,20+/m1/s1
InChIKeyFDGWTXKXYPUPIF-ZRNYENFQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RM-14-6 (ncbitaxon:1353416) - PubMed (28029795)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Oxachelin B (CHEBI:206258) is a peptide (CHEBI:16670)
IUPAC Name 
N-[(2S)-1-[[(2S)-1-[[(2R)-5-[ormyl(hydroxy)amino]-1-[[3-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-3-oxopropyl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-hydroxybenzamide
Manual XrefsDatabases
76794053ChemSpider