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CHEBI:198246 - BZR-cotoxin I

ChEBI IDCHEBI:198246
ChEBI NameBZR-cotoxin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H85N7O13
Net Charge0
Average Mass968.244
Monoisotopic Mass967.62054
SMILESCCC(C)C1C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(CO)C(=O)OC(C(C)C)C(=O)N(C)C(C)C(=O)OC(C(C)C)C(=O)N(C)C(C(C)O)C(=O)NC(CC(C)C)C(=O)N1C
InChIInChI=1S/C48H85N7O13/c1-20-29(12)36-44(62)53(17)35(26(6)7)43(61)52(16)34(22-25(4)5)40(58)50-33(23-56)48(66)68-38(27(8)9)45(63)51(15)30(13)47(65)67-39(28(10)11)46(64)55(19)37(31(14)57)41(59)49-32(21-24(2)3)42(60)54(36)18/h24-39,56-57H,20-23H2,1-19H3,(H,49,59)(H,50,58)
InChIKeyNZTGVGORBGCOFL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bipolaris zeicola (ncbitaxon:5017) - DOI (10.1016/0040-4039(94)88218-5)
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 I (CHEBI:198246) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
18-butan-2-yl-24-(1-hydroxyethyl)-9-(hydroxymethyl)-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-6,15,27-tri(propan-2-yl)-1,7-dioxa-4,10,13,16,19,22,25-heptazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone
Manual XrefsDatabases
155428ChemSpider