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CHEBI:198247 - Arylomycin B7

ChEBI IDCHEBI:198247
ChEBI NameArylomycin B7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H65N7O13
Net Charge0
Average Mass912.051
Monoisotopic Mass911.46404
SMILESCCC(C)CCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)C1C(=O)N[C@@H](C)C(=O)NC(C(=O)O)Cc2cc(c(O)c([N+](=O)[O-])c2)-c2cc1ccc2O
InChIInChI=1S/C45H65N7O13/c1-7-26(2)16-14-12-10-8-9-11-13-15-17-37(55)50(5)35(25-53)43(60)47-27(3)41(58)46-24-38(56)51(6)39-30-18-19-36(54)31(23-30)32-20-29(22-34(40(32)57)52(64)65)21-33(45(62)63)49-42(59)28(4)48-44(39)61/h18-20,22-23,26-28,33,35,39,53-54,57H,7-17,21,24-25H2,1-6H3,(H,46,58)(H,47,60)(H,48,61)(H,49,59)(H,62,63)/t26?,27-,28+,33?,35-,39?/m1/s1
InChIKeyVEAKNBDBVBJRRJ-DORYWWEISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies Tue 6075 (ncbitaxon:1661694) - PubMed (12195962)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Arylomycin B7 (CHEBI:198247) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(11S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(12-methyltetradecanoyl)amino]propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-11-methyl-4-nitro-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
Manual XrefsDatabases
78445573ChemSpider