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CHEBI:219723 - FR190293

ChEBI IDCHEBI:219723
ChEBI NameFR190293
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SubmitterMetaboLights
DownloadsMolfile
FormulaC51H82N8O21S
Net Charge0
Average Mass1175.319
Monoisotopic Mass1174.53152
SMILESCCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c2ccc(O)c(OS(=O)(=O)O)c2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
InChIInChI=1S/C51H82N8O21S/c1-6-24(2)17-25(3)13-11-9-7-8-10-12-14-37(66)53-30-20-34(64)47(72)57-49(74)41-42(67)26(4)22-59(41)51(76)39(33(63)21-36(52)65)55-48(73)40(44(69)43(68)28-15-16-32(62)35(18-28)80-81(77,78)79)56-46(71)31-19-29(61)23-58(31)50(75)38(27(5)60)54-45(30)70/h15-16,18,24-27,29-31,33-34,38-44,47,60-64,67-69,72H,6-14,17,19-23H2,1-5H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)(H,77,78,79)
InChIKeyQWGUIASLEIZFMB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (16724456)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
FR190293 (CHEBI:219723) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
[5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(10,12-dimethyltetradecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulate