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CHEBI:221422 - Anabenopeptin 802b

ChEBI IDCHEBI:221422
ChEBI NameAnabenopeptin 802b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H58N8O8
Net Charge0
Average Mass802.974
Monoisotopic Mass802.43776
SMILESCC(C)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/c1-24(2)20-32-39(54)47-34(22-28-23-44-30-17-11-10-16-29(28)30)40(55)50(6)26(5)36(51)45-33(21-27-14-8-7-9-15-27)37(52)43-19-13-12-18-31(38(53)46-32)48-42(58)49-35(25(3)4)41(56)57/h7-11,14-17,23-26,31-35,44H,12-13,18-22H2,1-6H3,(H,43,52)(H,45,51)(H,46,53)(H,47,54)(H,56,57)(H2,48,49,58)/t26-,31-,32-,33-,34-,35+/m1/s1
InChIKeyRZTDEMLYEYEFOR-OJSTXZMLSA-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 802b (CHEBI:221422) is a oligopeptide (CHEBI:25676)