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CHEBI:210325 - Arylomycin A4

ChEBI IDCHEBI:210325
ChEBI NameArylomycin A4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H62N6O11
Net Charge0
Average Mass839.000
Monoisotopic Mass838.44766
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)Cc2ccc(O)c(c2)-c2cc1ccc2O
InChIInChI=1S/C43H62N6O11/c1-7-25(2)14-12-10-8-9-11-13-15-36(53)48(5)33(24-50)41(57)45-26(3)39(55)44-23-37(54)49(6)38-29-17-19-35(52)31(22-29)30-20-28(16-18-34(30)51)21-32(43(59)60)47-40(56)27(4)46-42(38)58/h16-20,22,25-27,32-33,38,50-52H,7-15,21,23-24H2,1-6H3,(H,44,55)(H,45,57)(H,46,58)(H,47,56)(H,59,60)/t25?,26-,27+,32?,33-,38?/m1/s1
InChIKeyYGPDJLNYORNORK-QAZUVEQBSA-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 A4 (CHEBI:210325) 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-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
9160903ChemSpider