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CHEBI:206259 - FR227673

ChEBI IDCHEBI:206259
ChEBI NameFR227673
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SubmitterMetaboLights
DownloadsMolfile
FormulaC53H86N8O21S
Net Charge0
Average Mass1203.373
Monoisotopic Mass1202.56282
SMILESCCC(C)CC(C)CCCCCCCCCCC(=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/C53H86N8O21S/c1-6-26(2)19-27(3)15-13-11-9-7-8-10-12-14-16-39(68)55-32-22-36(66)49(74)59-51(76)43-44(69)28(4)24-61(43)53(78)41(35(65)23-38(54)67)57-50(75)42(46(71)45(70)30-17-18-34(64)37(20-30)82-83(79,80)81)58-48(73)33-21-31(63)25-60(33)52(77)40(29(5)62)56-47(32)72/h17-18,20,26-29,31-33,35-36,40-46,49,62-66,69-71,74H,6-16,19,21-25H2,1-5H3,(H2,54,67)(H,55,68)(H,56,72)(H,57,75)(H,58,73)(H,59,76)(H,79,80,81)
InChIKeyXEIJPGKRYOZUGB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chalaraspecies (ncbitaxon:36534) - 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)
FR227673 (CHEBI:206259) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
[5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(12,14-dimethylhexadecanoylamino)-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
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28283412ChemSpider