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CHEBI:207997 - BZR-cotoxin IV

ChEBI IDCHEBI:207997
ChEBI NameBZR-cotoxin IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H69N7O9
Net Charge0
Average Mass876.109
Monoisotopic Mass875.51568
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)CNC1=O
InChIInChI=1S/C47H69N7O9/c1-11-29(7)38-45(60)48-26-37(55)49-31(9)41(56)50-34(24-32-19-15-13-16-20-32)43(58)53-39(30(8)12-2)47(62)63-40(28(5)6)46(61)54(10)36(23-27(3)4)44(59)51-35(42(57)52-38)25-33-21-17-14-18-22-33/h13-22,27-31,34-36,38-40H,11-12,23-26H2,1-10H3,(H,48,60)(H,49,55)(H,50,56)(H,51,59)(H,52,57)(H,53,58)/t29-,30-,31+,34-,35-,36-,38-,39-,40-/m0/s1
InChIKeyHYRIAKASPMEAMO-VKJNQXOZSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - DOI (10.1016/0040-4039(94)02331-5)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
BZR-cotoxin IV (CHEBI:207997) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,15S,18S,21S,24S)-6,18-dibenzyl-3,15-bis[(2S)-butan-2-yl]-9,22-dimethyl-21-(2-methylpropyl)-24-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Manual XrefsDatabases
78441285ChemSpider