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CHEBI:219914 - Cystobactamid 891-2

Default Structure
ChEBI IDCHEBI:219914
ChEBI NameCystobactamid 891-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H41N7O14
Net Charge0
Average Mass891.847
Monoisotopic Mass891.27115
SMILESCOc1cc(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/C44H41N7O14/c1-22(2)65-36-32(20-18-30(35(36)52)42(57)48-31-19-11-26(44(59)60)21-33(31)63-3)49-40(55)23-5-14-28(15-6-23)47-43(58)34(37(64-4)38(45)53)50-41(56)24-7-12-27(13-8-24)46-39(54)25-9-16-29(17-10-25)51(61)62/h5-22,34,37,52H,1-4H3,(H2,45,53)(H,46,54)(H,47,58)(H,48,57)(H,49,55)(H,50,56)(H,59,60)/t34-,37+/m0/s1
InChIKeyWMLWGVVLDSEQNF-PIZIKKFZSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (28730677)
ChEBI Ontology
Outgoing Relation(s)
Cystobactamid 891-2 (CHEBI:219914) 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-methoxybenzoic acid