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CHEBI:205883 - Arylomycin B4

ChEBI IDCHEBI:205883
ChEBI NameArylomycin B4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H61N7O13
Net Charge0
Average Mass883.997
Monoisotopic Mass883.43274
SMILESCCC(C)CCCCCCCCC(=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/C43H61N7O13/c1-7-24(2)14-12-10-8-9-11-13-15-35(53)48(5)33(23-51)41(58)45-25(3)39(56)44-22-36(54)49(6)37-28-16-17-34(52)29(21-28)30-18-27(20-32(38(30)55)50(62)63)19-31(43(60)61)47-40(57)26(4)46-42(37)59/h16-18,20-21,24-26,31,33,37,51-52,55H,7-15,19,22-23H2,1-6H3,(H,44,56)(H,45,58)(H,46,59)(H,47,57)(H,60,61)/t24?,25-,26+,31?,33-,37?/m1/s1
InChIKeyULSQXBDNXAHTQS-BJUXYKRCSA-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 B4 (CHEBI:205883) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(11S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(10-methyldodecanoyl)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
78445603ChemSpider