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CHEBI:202082 - WF11899C

ChEBI IDCHEBI:202082
ChEBI NameWF11899C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H82N8O19S
Net Charge0
Average Mass1143.321
Monoisotopic Mass1142.54169
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(C(C)O)NC1=O
InChIInChI=1S/C51H82N8O19S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-39(66)53-32-19-21-40(67)54-49(72)44-45(68)28(2)26-59(44)51(74)43(36(64)25-38(52)65)57-48(71)42(35(63)22-30-18-20-34(62)37(23-30)78-79(75,76)77)56-47(70)33-24-31(61)27-58(33)50(73)41(29(3)60)55-46(32)69/h18,20,23,28-29,31-33,35-36,40-45,60-64,67-68H,4-17,19,21-22,24-27H2,1-3H3,(H2,52,65)(H,53,66)(H,54,72)(H,55,69)(H,56,70)(H,57,71)(H,75,76,77)
InChIKeyBQHILXLXXUQKOO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Coleophoma (ncbitaxon:453209) - PubMed (7961156)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
WF11899C (CHEBI:202082) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,21,25-trihydroxy-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
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