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CHEBI:219459 - FR220899

ChEBI IDCHEBI:219459
ChEBI NameFR220899
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SubmitterMetaboLights
DownloadsMolfile
FormulaC50H80N8O20S
Net Charge0
Average Mass1145.293
Monoisotopic Mass1144.52096
SMILESCCCCCCCCCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)CCN2C(=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/C50H80N8O20S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-39(67)52-30-24-36(65)46(70)56-48(72)43-32(61)19-20-57(43)50(74)42(35(64)25-38(51)66)55-47(71)41(34(63)22-28-17-18-37(33(62)21-28)78-79(75,76)77)54-45(69)31-23-29(60)26-58(31)49(73)40(27(2)59)53-44(30)68/h17-18,21,27,29-32,34-36,40-43,46,59-65,70H,3-16,19-20,22-26H2,1-2H3,(H2,51,66)(H,52,67)(H,53,68)(H,54,69)(H,55,71)(H,56,72)(H,75,76,77)
InChIKeyCPKSKRPKSGGWCW-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)
FR220899 (CHEBI:219459) 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)-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
8117272ChemSpider