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CHEBI:203307 - Polyoxypeptin B

ChEBI IDCHEBI:203307
ChEBI NamePolyoxypeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H76N8O14
Net Charge0
Average Mass953.145
Monoisotopic Mass952.54810
SMILESCC[C@H](C)C[C@H]1CC[C@](O)([C@](C)(O)C(=O)N[C@@H]2C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@H](C)C(=O)N3NCCC[C@@H]3C(=O)N3CC[C@@](C)(O)[C@H]3C(=O)N(O)[C@@H](C(C)C)C(=O)O[C@H]2C(C)C)O[C@@H]1CC
InChIInChI=1S/C45H76N8O14/c1-11-26(7)23-28-17-18-45(63,67-31(28)12-2)44(10,62)42(60)48-32-34(25(5)6)66-41(59)33(24(3)4)53(65)40(58)35-43(9,61)19-22-49(35)37(55)29-15-13-20-46-50(29)36(54)27(8)52(64)38(56)30-16-14-21-47-51(30)39(32)57/h24-35,46-47,61-65H,11-23H2,1-10H3,(H,48,60)/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,43+,44+,45+/m0/s1
InChIKeySJECZDQCXSPZOK-SAYJIOBQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (11674399)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Polyoxypeptin B (CHEBI:203307) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[(2R,5R,6R)-6-ethyl-2-hydroxy-5-[(2S)-2-methylbutyl]oxan-2-yl]-2-hydroxy-N-[(1R,6R,7S,10S,13S,14S,21R,24R)-6,9,23-trihydroxy-6,24-dimethyl-2,8,11,15,22,25-hexaoxo-10,13-di(propan-2-yl)-12-oxa-3,9,16,17,23,26,27-heptazatetracyclo[24.4.0.03,7.016,21]triacontan-14-yl]propanamide
Manual XrefsDatabases
8616325ChemSpider