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CHEBI:205458 - Kutzneride 8

ChEBI IDCHEBI:205458
ChEBI NameKutzneride 8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H48Cl3N7O12
Net Charge0
Average Mass889.187
Monoisotopic Mass887.24265
SMILESCOC[C@@H]1NC(=O)[C@@H]2CC(Cl)CNN2C(=O)[C@H](C(C)(C)C)OC(=O)[C@@H](C2(C)CC2)NC(=O)[C@@H]2C[C@@]3(O)c4ccc(Cl)c(Cl)c4N[C@H]3N2C(=O)[C@@H]([C@H](O)CC(=O)O)NC1=O
InChIInChI=1S/C37H48Cl3N7O12/c1-35(2,3)27-32(55)47-19(10-15(38)13-41-47)29(52)42-18(14-58-5)28(51)43-25(21(48)11-22(49)50)31(54)46-20(30(53)45-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(39)23(40)24(16)44-34(37)46/h6-7,15,18-21,25-27,34,41,44,48,57H,8-14H2,1-5H3,(H,42,52)(H,43,51)(H,45,53)(H,49,50)/t15?,18-,19-,20-,21+,25+,26-,27+,34-,37+/m0/s1
InChIKeyGOUIVYIRLLTNCF-RMDRTFJASA-N
Species of MetaboliteComponentSourceComments
Kutzneriaspecies 744 (ncbitaxon:345341) - PubMed (17190458)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Kutzneride 8 (CHEBI:205458) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R)-3-[(1S,4R,7S,14S,17S,20R,23S,31R)-7-tert-butyl-12,26,27-trichloro-31-hydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-2,5,8,15,18,21-hexaoxo-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-trien-20-yl]-3-hydroxypropanoic acid
Manual XrefsDatabases
17257427ChemSpider