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CHEBI:224174 - Arylomycin B6

ChEBI IDCHEBI:224174
ChEBI NameArylomycin B6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H63N7O13
Net Charge0
Average Mass898.024
Monoisotopic Mass897.44839
SMILESCC(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/C44H63N7O13/c1-25(2)15-13-11-9-7-8-10-12-14-16-36(54)49(5)34(24-52)42(59)46-26(3)40(57)45-23-37(55)50(6)38-29-17-18-35(53)30(22-29)31-19-28(21-33(39(31)56)51(63)64)20-32(44(61)62)48-41(58)27(4)47-43(38)60/h17-19,21-22,25-27,32,34,38,52-53,56H,7-16,20,23-24H2,1-6H3,(H,45,57)(H,46,59)(H,47,60)(H,48,58)(H,61,62)/t26-,27+,32?,34-,38?/m1/s1
InChIKeyHMWQGUWTRNATQF-CIPORLFTSA-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 B6 (CHEBI:224174) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(11S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(12-methyltridecanoyl)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
78441413ChemSpider