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CHEBI:220983 - Xenoamicin C

ChEBI IDCHEBI:220983
ChEBI NameXenoamicin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H111N13O15
Net Charge0
Average Mass1314.679
Monoisotopic Mass1313.83226
SMILESCCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)NCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)[C@H](C)CC)C(C)C
InChIInChI=1S/C65H111N13O15/c1-19-24-45(79)77-29-22-25-43(77)57(84)67-40(17)55(82)70-48(34(8)9)60(87)69-42(31-32(4)5)56(83)74-51(37(14)20-2)63(90)76-53-41(18)93-65(92)50(36(12)13)73-58(85)44-26-23-30-78(44)46(80)27-28-66-54(81)39(16)68-59(86)47(33(6)7)71-62(89)52(38(15)21-3)75-61(88)49(35(10)11)72-64(53)91/h32-44,47-53H,19-31H2,1-18H3,(H,66,81)(H,67,84)(H,68,86)(H,69,87)(H,70,82)(H,71,89)(H,72,91)(H,73,85)(H,74,83)(H,75,88)(H,76,90)/t37-,38-,39-,40-,41-,42-,43+,44-,47+,48+,49+,50+,51+,52-,53-/m1/s1
InChIKeyRCNSZSLZDQBOEM-YXEJCLQBSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (24203528)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xenoamicin C (CHEBI:220983) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-1-butanoyl-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[(7R,10S,13R,16S,19R,20R,23S,26R)-13-[(2R)-butan-2-yl]-7,20-dimethyl-2,6,9,12,15,18,22,25-octaoxo-10,16,23-tri(propan-2-yl)-21-oxa-1,5,8,11,14,17,24-heptazabicyclo[24.3.0]nonacosan-19-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide