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CHEBI:197946 - FR220897

ChEBI IDCHEBI:197946
ChEBI NameFR220897
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H82N8O20S
Net Charge0
Average Mass1159.320
Monoisotopic Mass1158.53661
SMILESCCCCCCCCCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)Cc2ccc(OS(=O)(=O)O)c(O)c2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
InChIInChI=1S/C51H82N8O20S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-39(67)53-31-23-36(65)47(71)57-49(73)43-44(68)27(2)25-59(43)51(75)42(35(64)24-38(52)66)56-48(72)41(34(63)21-29-18-19-37(33(62)20-29)79-80(76,77)78)55-46(70)32-22-30(61)26-58(32)50(74)40(28(3)60)54-45(31)69/h18-20,27-28,30-32,34-36,40-44,47,60-65,68,71H,4-17,21-26H2,1-3H3,(H2,52,66)(H,53,67)(H,54,69)(H,55,70)(H,56,72)(H,57,73)(H,76,77,78)
InChIKeyGFEXQVWXQYCVIC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Coleophoma (ncbitaxon:453209) - PubMed (16724455)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
FR220897 (CHEBI:197946) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[4-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-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]-2-hydroxyethyl]-2-hydroxyphenyl] hydrogen sulate
Manual XrefsDatabases
8074034ChemSpider