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CHEBI:221418 - Anabenopeptin 802a

ChEBI IDCHEBI:221418
ChEBI NameAnabenopeptin 802a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H58N8O8
Net Charge0
Average Mass802.974
Monoisotopic Mass802.43776
SMILESCCC(C)[C@H]1NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2cnc3ccccc23)NC1=O
InChIInChI=1S/C42H58N8O8/c1-7-25(4)35-39(54)46-33(22-28-23-44-30-18-12-11-17-29(28)30)40(55)50(6)26(5)36(51)45-32(21-27-15-9-8-10-16-27)37(52)43-20-14-13-19-31(38(53)48-35)47-42(58)49-34(24(2)3)41(56)57/h8-12,15-18,23-26,31-35,44H,7,13-14,19-22H2,1-6H3,(H,43,52)(H,45,51)(H,46,54)(H,48,53)(H,56,57)(H2,47,49,58)/t25?,26-,31-,32-,33-,34+,35-/m1/s1
InChIKeyFMXKKRVABMYCJR-PKQMAAELSA-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)
Anabenopeptin 802a (CHEBI:221418) is a oligopeptide (CHEBI:25676)