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CHEBI:212091 - FR209603

ChEBI IDCHEBI:212091
ChEBI NameFR209603
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H78N8O20S
Net Charge0
Average Mass1131.266
Monoisotopic Mass1130.50531
SMILESCCCCCCCCCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)CCN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)Cc2ccc(O)c(OS(=O)(=O)O)c2)NC(=O)C2CC(O)CN2C(=O)C(CO)NC1=O
InChIInChI=1S/C49H78N8O20S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-39(66)51-29-23-36(64)45(69)55-47(71)42-33(61)18-19-56(42)49(73)41(35(63)24-38(50)65)54-46(70)40(34(62)20-27-16-17-32(60)37(21-27)77-78(74,75)76)53-44(68)31-22-28(59)25-57(31)48(72)30(26-58)52-43(29)67/h16-17,21,28-31,33-36,40-42,45,58-64,69H,2-15,18-20,22-26H2,1H3,(H2,50,65)(H,51,66)(H,52,67)(H,53,68)(H,54,70)(H,55,71)(H,74,75,76)
InChIKeyAHWAQZYBDSUNQC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Coleophoma (ncbitaxon:453209) - PubMed (16724453)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
FR209603 (CHEBI:212091) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(hydroxymethyl)-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
78444154ChemSpider