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CHEBI:221326 - Xantholysin B

ChEBI IDCHEBI:221326
ChEBI NameXantholysin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC83H144N18O23
Net Charge0
Average Mass1762.168
Monoisotopic Mass1761.06517
SMILESCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC1COC(=O)C(C(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O)C(C)C
InChIInChI=1S/C83H144N18O23/c1-18-19-20-21-22-23-49(102)39-65(107)88-55(34-41(2)3)75(115)93-54(28-33-66(108)109)70(110)89-52(26-31-63(86)105)73(113)99-67(46(12)13)81(121)96-59(38-45(10)11)78(118)91-51(25-30-62(85)104)72(112)98-60-40-124-83(123)69(48(16)17)101-74(114)53(27-32-64(87)106)92-76(116)56(35-42(4)5)95-79(119)57(36-43(6)7)94-71(111)50(24-29-61(84)103)90-77(117)58(37-44(8)9)97-82(122)68(47(14)15)100-80(60)120/h41-60,67-69,102H,18-40H2,1-17H3,(H2,84,103)(H2,85,104)(H2,86,105)(H2,87,106)(H,88,107)(H,89,110)(H,90,117)(H,91,118)(H,92,116)(H,93,115)(H,94,111)(H,95,119)(H,96,121)(H,97,122)(H,98,112)(H,99,113)(H,100,120)(H,101,114)(H,108,109)
InChIKeyUBFQXDNOBHOEFV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (23690965)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xantholysin B (CHEBI:221326) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-[[5-amino-1-[[1-[[1-[[5-amino-1-[[6,15-bis(3-amino-3-oxopropyl)-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-(3-hydroxydecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid