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CHEBI:221412 - Anabaenopeptin 788

ChEBI IDCHEBI:221412
ChEBI NameAnabaenopeptin 788
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H56N8O8
Net Charge0
Average Mass788.947
Monoisotopic Mass788.42211
SMILESCC(C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@@H](C(C)C)NC1=O)C(=O)O
InChIInChI=1S/C41H56N8O8/c1-23(2)33-38(53)45-32(21-27-22-43-29-17-11-10-16-28(27)29)39(54)49(6)25(5)35(50)44-31(20-26-14-8-7-9-15-26)36(51)42-19-13-12-18-30(37(52)47-33)46-41(57)48-34(24(3)4)40(55)56/h7-11,14-17,22-25,30-34,43H,12-13,18-21H2,1-6H3,(H,42,51)(H,44,50)(H,45,53)(H,47,52)(H,55,56)(H2,46,48,57)/t25-,30-,31-,32-,33-,34+/m1/s1
InChIKeyHEAKELJCVBVEKW-LBEIPMMNSA-N
Species of MetaboliteComponentSourceComments
Brasilonemaspecies CT11 (ncbitaxon:2748322) - PubMed (32825321)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anabaenopeptin 788 (CHEBI:221412) is a oligopeptide (CHEBI:25676)