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CHEBI:203775 - Arylomycin A6

ChEBI IDCHEBI:203775
ChEBI NameArylomycin A6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H66N6O11
Net Charge0
Average Mass867.054
Monoisotopic Mass866.47896
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)N[C@H](C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O
InChIInChI=1S/C45H66N6O11/c1-7-27(2)16-14-12-10-8-9-11-13-15-17-38(55)50(5)35(26-52)43(59)47-28(3)41(57)46-25-39(56)51(6)40-31-19-21-37(54)33(24-31)32-22-30(18-20-36(32)53)23-34(45(61)62)49-42(58)29(4)48-44(40)60/h18-22,24,27-29,34-35,40,52-54H,7-17,23,25-26H2,1-6H3,(H,46,57)(H,47,59)(H,48,60)(H,49,58)(H,61,62)/t27?,28-,29-,34-,35+,40?/m0/s1
InChIKeyCWWWHXMQYXOJSZ-NBTZKJHESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HCCB10043 (ncbitaxon:1396518) - PubMed (23815473)
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 A6 (CHEBI:203775) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(8S,11S)-3,18-dihydroxy-14-[[2-[[(2S)-2-[[(2R)-3-hydroxy-2-[methyl(12-methyltetradecanoyl)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
78437055ChemSpider