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CHEBI:222264 - Kutzneride 7

ChEBI IDCHEBI:222264
ChEBI NameKutzneride 7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H47Cl2N7O12
Net Charge0
Average Mass840.715
Monoisotopic Mass839.26598
SMILESCOC[C@@H]1NC(=O)[C@@H]2CCCNN2C(=O)[C@H](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/C36H47Cl2N7O12/c1-15(2)26-32(53)45-19(6-5-11-39-45)29(50)40-18(14-56-4)28(49)41-25(21(46)12-22(47)48)31(52)44-20(30(51)43-27(33(54)57-26)35(3)9-10-35)13-36(55)16-7-8-17(37)23(38)24(16)42-34(36)44/h7-8,15,18-21,25-27,34,39,42,46,55H,5-6,9-14H2,1-4H3,(H,40,50)(H,41,49)(H,43,51)(H,47,48)/t18-,19-,20-,21-,25+,26-,27-,34-,36+/m0/s1
InChIKeyNIODADNQNLLDEA-PSLRZACRSA-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 7 (CHEBI:222264) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S)-3-[(1S,4R,7S,14S,17S,20R,23S,31R)-26,27-dichloro-31-hydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-2,5,8,15,18,21-hexaoxo-7-propan-2-yl-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
17257429ChemSpider