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CHEBI:222095 - Anabaenopeptin SA6

ChEBI IDCHEBI:222095
ChEBI NameAnabaenopeptin SA6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H62N8O9
Net Charge0
Average Mass835.016
Monoisotopic Mass834.46398
SMILESCC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@H](C)CC)NC1=O)C(=O)O
InChIInChI=1S/C43H62N8O9/c1-6-26(3)35-40(56)46-31(22-21-28-16-10-8-11-17-28)41(57)51(5)33(25-34(44)52)39(55)47-32(24-29-18-12-9-13-19-29)37(53)45-23-15-14-20-30(38(54)49-35)48-43(60)50-36(42(58)59)27(4)7-2/h8-13,16-19,26-27,30-33,35-36H,6-7,14-15,20-25H2,1-5H3,(H2,44,52)(H,45,53)(H,46,56)(H,47,55)(H,49,54)(H,58,59)(H2,48,50,60)/t26-,27-,30-,31+,32+,33+,35+,36+/m1/s1
InChIKeyCSCVQSXGGVJLJI-KEXVFTQYSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - PubMed (27604544)
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 SA6 (CHEBI:222095) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S,3R)-2-[[(3S,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-3-benzyl-12-[(2R)-butan-2-yl]-7-methyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid