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CHEBI:218949 - NW-G05

ChEBI IDCHEBI:218949
ChEBI NameNW-G05
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H47ClN10O7
Net Charge0
Average Mass743.266
Monoisotopic Mass742.33177
SMILESCC(C)[C@H]1NC(=O)[C@@H]2C[C@@]3(O)c4ccc(Cl)cc4N[C@H]3N2C(=O)[C@H]2CCCNN2C(=O)[C@H](C)NC(=O)[C@H]2CCCNN2C(=O)[C@@H]2CCCNN2C1=O
InChIInChI=1S/C34H47ClN10O7/c1-17(2)26-32(51)45-24(9-6-14-38-45)31(50)43-22(7-4-12-36-43)27(46)39-18(3)29(48)44-23(8-5-13-37-44)30(49)42-25(28(47)41-26)16-34(52)20-11-10-19(35)15-21(20)40-33(34)42/h10-11,15,17-18,22-26,33,36-38,40,52H,4-9,12-14,16H2,1-3H3,(H,39,46)(H,41,47)/t18-,22+,23+,24-,25-,26+,33-,34+/m0/s1
InChIKeyNQBSPMKAIGEJBH-YMEHRBBISA-N
Species of MetaboliteComponentSourceComments
Streptomyces alboflavus (ncbitaxon:67267) - PubMed (22365561)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
NW-G05 (CHEBI:218949) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3R,10S,13R,20S,27R,30S,32R,40S)-36-chloro-32-hydroxy-10-methyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33(38),34,36-triene-2,9,12,19,26,29-hexone
Manual XrefsDatabases
78442084ChemSpider