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CHEBI:217819 - Arylomycin A1

ChEBI IDCHEBI:217819
ChEBI NameArylomycin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H58N6O11
Net Charge0
Average Mass810.946
Monoisotopic Mass810.41636
SMILESCC(C)CCCCCCCC(=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/C41H58N6O11/c1-23(2)12-10-8-7-9-11-13-34(51)46(5)31(22-48)39(55)43-24(3)37(53)42-21-35(52)47(6)36-27-15-17-33(50)29(20-27)28-18-26(14-16-32(28)49)19-30(41(57)58)45-38(54)25(4)44-40(36)56/h14-18,20,23-25,30-31,36,48-50H,7-13,19,21-22H2,1-6H3,(H,42,53)(H,43,55)(H,44,56)(H,45,54)(H,57,58)/t24-,25+,30?,31-,36?/m1/s1
InChIKeyLNVQPJGJVYGJKF-SBKIGQFHSA-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 A1 (CHEBI:217819) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(11S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(9-methyldecanoyl)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
9258484ChemSpider