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CHEBI:203647 - FR209604

ChEBI IDCHEBI:203647
ChEBI NameFR209604
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H80N8O19S
Net Charge0
Average Mass1129.294
Monoisotopic Mass1128.52604
SMILESCCCCCCCCCCCCCCCC(=O)NC1CCC(O)NC(=O)C2C(O)C(C)CN2C(=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/C50H80N8O19S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-39(65)52-31-18-20-40(66)54-48(71)43-44(67)28(2)25-58(43)50(73)42(36(63)24-38(51)64)56-47(70)41(35(62)21-29-17-19-34(61)37(22-29)77-78(74,75)76)55-46(69)33-23-30(60)26-57(33)49(72)32(27-59)53-45(31)68/h17,19,22,28,30-33,35-36,40-44,59-63,66-67H,3-16,18,20-21,23-27H2,1-2H3,(H2,51,64)(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,70)(H,74,75,76)
InChIKeyFXXXVZDWMMLIOC-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)
FR209604 (CHEBI:203647) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,21,25-trihydroxy-15-(hydroxymethyl)-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
78444055ChemSpider