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CHEBI:205299 - Tasipeptin B

ChEBI IDCHEBI:205299
ChEBI NameTasipeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H62N6O9
Net Charge0
Average Mass770.969
Monoisotopic Mass770.45783
SMILESCCCC(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
InChIInChI=1S/C40H62N6O9/c1-10-14-31(47)43-34-25(8)55-40(54)33(24(6)7)44-36(50)29(21-26-15-12-11-13-16-26)45(9)39(53)30(20-23(4)5)46-32(48)18-17-27(38(46)52)41-35(49)28(19-22(2)3)42-37(34)51/h11-13,15-16,22-25,27-30,32-34,48H,10,14,17-21H2,1-9H3,(H,41,49)(H,42,51)(H,43,47)(H,44,50)/t25-,27+,28+,29+,30+,32-,33+,34+/m1/s1
InChIKeySLJZYOVZWGGRQB-GRYOGVIMSA-N
Species of MetaboliteComponentSourceComments
Symploca (ncbitaxon:105591) - PubMed (12762794)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tasipeptin B (CHEBI:205299) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]butanamide
Manual XrefsDatabases
8163332ChemSpider