EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207157 - Anabaenopeptin J

ChEBI IDCHEBI:207157
ChEBI NameAnabaenopeptin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H59N7O9
Net Charge0
Average Mass793.963
Monoisotopic Mass793.43743
SMILESCC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O)C(=O)O
InChIInChI=1S/C41H59N7O9/c1-7-25(4)34(40(55)56)47-41(57)45-30-15-11-12-22-42-36(51)32(23-28-13-9-8-10-14-28)44-35(50)26(5)48(6)39(54)31(21-18-27-16-19-29(49)20-17-27)43-38(53)33(24(2)3)46-37(30)52/h8-10,13-14,16-17,19-20,24-26,30-34,49H,7,11-12,15,18,21-23H2,1-6H3,(H,42,51)(H,43,53)(H,44,50)(H,46,52)(H,55,56)(H2,45,47,57)/t25-,26+,30-,31+,32+,33+,34+/m1/s1
InChIKeyQRBPBHIXDXCIEN-XNEPBORXSA-N
Species of MetaboliteComponentSourceComments
Aphanizomenon flos-aquae NIES-81 (ncbitaxon:284502) - PubMed (11000037)
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 J (CHEBI:207157) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,3R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
Manual XrefsDatabases
8828250ChemSpider