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CHEBI:221055 - Polyoxypeptin

ChEBI IDCHEBI:221055
ChEBI NamePolyoxypeptin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H76N8O15
Net Charge0
Average Mass969.144
Monoisotopic Mass968.54301
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)N3NC[C@H](O)C[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/C45H76N8O15/c1-11-25(7)20-27-15-16-45(64,68-31(27)12-2)44(10,63)42(61)48-32-34(24(5)6)67-41(60)33(23(3)4)53(66)40(59)35-43(9,62)17-19-49(35)37(56)30-21-28(54)22-47-51(30)36(55)26(8)52(65)38(57)29-14-13-18-46-50(29)39(32)58/h23-35,46-47,54,62-66H,11-22H2,1-10H3,(H,48,61)/t25-,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,43+,44+,45+/m0/s1
InChIKeyIHVXCLXQTOSBMJ-FINQWCIQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/s0040-4039(98)00031-8)
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 (CHEBI:221055) 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,24S,29R)-6,9,23,29-tetrahydroxy-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
9161086ChemSpider