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CHEBI:220746 - Deepflavo

ChEBI IDCHEBI:220746
ChEBI NameDeepflavo
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC79H114N18O17S3
Net Charge0
Average Mass1684.091
Monoisotopic Mass1682.77715
SMILESC/C=C(\NC(=O)C(CS)NC(=O)C1CSC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(NC(=O)C(=O)CC)C(C)CC)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2cnc3ccccc23)C(=O)N1)C(=O)NC1CC(C)SCC(C(=O)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC1=O
InChIInChI=1S/C79H114N18O17S3/c1-11-41(7)61-74(109)91-56(78(113)114)39-116-43(9)33-51(68(103)92-60(40(5)6)73(108)93-61)86-64(99)48(13-3)84-69(104)54(37-115)89-70(105)55-38-117-44(10)63(75(110)88-52(34-45-23-16-15-17-24-45)66(101)87-53(67(102)90-55)35-46-36-83-49-26-19-18-25-47(46)49)95-65(100)50(27-20-30-82-79(80)81)85-71(106)57-28-21-31-96(57)76(111)58-29-22-32-97(58)77(112)62(42(8)12-2)94-72(107)59(98)14-4/h13,15-19,23-26,36,40-44,50-58,60-63,83,115H,11-12,14,20-22,27-35,37-39H2,1-10H3,(H,84,104)(H,85,106)(H,86,99)(H,87,101)(H,88,110)(H,89,105)(H,90,102)(H,91,109)(H,92,103)(H,93,108)(H,94,107)(H,95,100)(H,113,114)(H4,80,81,82)/b48-13-
InChIKeyOUQUMQNNASNRLC-MFEJYURZSA-N
Species of MetaboliteComponentSourceComments
Flavobacterium (ncbitaxon:237) - PubMed (31871149)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Deepflavo (CHEBI:220746) is a peptide (CHEBI:16670)