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CHEBI:202636 - Kutzneride 6

ChEBI IDCHEBI:202636
ChEBI NameKutzneride 6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H47Cl2N7O13
Net Charge0
Average Mass868.725
Monoisotopic Mass867.26089
SMILESCOC[C@@H]1NC(=O)[C@@H]2CC(O)C=NN2C(=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/C37H47Cl2N7O13/c1-35(2,3)27-32(55)46-19(10-15(47)13-40-46)29(52)41-18(14-58-5)28(51)42-25(21(48)11-22(49)50)31(54)45-20(30(53)44-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(38)23(39)24(16)43-34(37)45/h6-7,13,15,18-21,25-27,34,43,47-48,57H,8-12,14H2,1-5H3,(H,41,52)(H,42,51)(H,44,53)(H,49,50)/t15?,18-,19-,20-,21+,25+,26-,27+,34-,37+/m0/s1
InChIKeyZIRIUMCQSORLJA-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 6 (CHEBI:202636) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R)-3-[(1S,4R,7S,14S,17S,20R,23S,31R)-7-tert-butyl-26,27-dichloro-12,31-dihydroxy-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-10,25(30),26,28-tetraen-20-yl]-3-hydroxypropanoic acid
Manual XrefsDatabases
17257426ChemSpider