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CHEBI:221332 - Xantholysin C

ChEBI IDCHEBI:221332
ChEBI NameXantholysin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC86H148N18O23
Net Charge0
Average Mass1802.233
Monoisotopic Mass1801.09647
SMILESCCCCCC/C=C\CC(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)CC)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/C86H148N18O23/c1-18-20-21-22-23-24-25-26-52(105)42-68(110)91-58(37-44(3)4)78(118)96-57(31-36-69(111)112)73(113)92-55(29-34-66(89)108)76(116)102-70(49(13)14)84(124)99-62(41-48(11)12)81(121)94-54(28-33-65(88)107)75(115)101-63-43-127-86(126)72(51(17)19-2)104-77(117)56(30-35-67(90)109)95-79(119)59(38-45(5)6)98-82(122)60(39-46(7)8)97-74(114)53(27-32-64(87)106)93-80(120)61(40-47(9)10)100-85(125)71(50(15)16)103-83(63)123/h24-25,44-63,70-72,105H,18-23,26-43H2,1-17H3,(H2,87,106)(H2,88,107)(H2,89,108)(H2,90,109)(H,91,110)(H,92,113)(H,93,120)(H,94,121)(H,95,119)(H,96,118)(H,97,114)(H,98,122)(H,99,124)(H,100,125)(H,101,115)(H,102,116)(H,103,123)(H,104,117)(H,111,112)/b25-24-
InChIKeyYBURQIMZBFFKPD-IZHYLOQSSA-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 C (CHEBI:221332) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-[[5-amino-1-[[1-[[1-[[5-amino-1-[[6,15-bis(3-amino-3-oxopropyl)-3-butan-2-yl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-21-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-[[(Z)-3-hydroxydodec-5-enoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid