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CHEBI:221666 - Pleofungin C

ChEBI IDCHEBI:221666
ChEBI NamePleofungin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H96N8O14
Net Charge0
Average Mass1081.404
Monoisotopic Mass1080.70460
SMILESCC[C@H](C)[C@H](NC)C(=O)N[C@@H]1C(=O)O[C@@H](C(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@@H]1C
InChIInChI=1S/C54H96N8O14/c1-22-32(14)40(55-18)47(66)59-42-35(17)74-52(71)37(24-27(4)5)61(20)49(68)33(15)56-48(67)43(30(10)11)62(21)51(70)41(34(16)63)58-45(64)36(23-26(2)3)60(19)50(69)39(29(8)9)57-46(65)38(25-28(6)7)75-54(73)44(31(12)13)76-53(42)72/h26-44,55,63H,22-25H2,1-21H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)/t32-,33-,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChIKeyJLJBIBLPLBFDGE-NJNKWCJISA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - PubMed (17420564)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pleofungin C (CHEBI:221666) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,3S)-N-[(2S,5S,8S,11S,14S,17S,20S,23S,26R,27S)-14-[(1R)-1-hydroxyethyl]-10,16,20,22,26-pentamethyl-5,11,23-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,28-nonaoxo-2,8,17-tri(propan-2-yl)-1,4,25-trioxa-7,10,13,16,19,22-hexazacyclooctacos-27-yl]-3-methyl-2-(methylamino)pentanamide
Manual XrefsDatabases
17226883ChemSpider