EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219921 - Cystobactamid 905-2

Default Structure
ChEBI IDCHEBI:219921
ChEBI NameCystobactamid 905-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H43N7O14
Net Charge0
Average Mass905.874
Monoisotopic Mass905.28680
SMILESCCOc1cc(C(=O)O)ccc1NC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[C@@H](NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)[C@@H](OC)C(N)=O)cc2)c(OC(C)C)c1O
InChIInChI=1S/C45H43N7O14/c1-5-65-34-22-27(45(60)61)12-20-32(34)49-43(58)31-19-21-33(37(36(31)53)66-23(2)3)50-41(56)24-6-15-29(16-7-24)48-44(59)35(38(64-4)39(46)54)51-42(57)25-8-13-28(14-9-25)47-40(55)26-10-17-30(18-11-26)52(62)63/h6-23,35,38,53H,5H2,1-4H3,(H2,46,54)(H,47,55)(H,48,59)(H,49,58)(H,50,56)(H,51,57)(H,60,61)/t35-,38+/m0/s1
InChIKeyVIQRTJTYLOOEMK-ZGAWMTGXSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (28730677)
ChEBI Ontology
Outgoing Relation(s)
Cystobactamid 905-2 (CHEBI:219921) is a benzamides (CHEBI:22702)
IUPAC Name 
4-[[4-[[4-[[(2S,3R)-4-amino-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-3-ethoxybenzoic acid