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CHEBI:219926 - Cystobactamid 934-2

Default Structure
ChEBI IDCHEBI:219926
ChEBI NameCystobactamid 934-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H46N6O15
Net Charge0
Average Mass934.912
Monoisotopic Mass934.30211
SMILESCCC(C)Oc1cc(C(=O)O)ccc1NC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(OC)[C@H](NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)O)cc2)c(OC(C)C)c1O
InChIInChI=1S/C47H46N6O15/c1-6-25(4)68-36-23-29(46(60)61)13-21-34(36)50-44(58)33-20-22-35(39(38(33)54)67-24(2)3)51-42(56)26-7-16-31(17-8-26)49-45(59)40(66-5)37(47(62)63)52-43(57)27-9-14-30(15-10-27)48-41(55)28-11-18-32(19-12-28)53(64)65/h7-25,37,40,54H,6H2,1-5H3,(H,48,55)(H,49,59)(H,50,58)(H,51,56)(H,52,57)(H,60,61)(H,62,63)/t25?,37-,40?/m0/s1
InChIKeySDUQIQZQDLXYQH-UGNGEPNOSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (28730677)
ChEBI Ontology
Outgoing Relation(s)
Cystobactamid 934-2 (CHEBI:219926) is a benzamides (CHEBI:22702)
IUPAC Name 
3-butan-2-yloxy-4-[[4-[[4-[[(3S)-3-carboxy-2-methoxy-3-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]propanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]benzoic acid