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CHEBI:202623 - Surugamide A

ChEBI IDCHEBI:202623
ChEBI NameSurugamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H81N9O8
Net Charge0
Average Mass912.231
Monoisotopic Mass911.62081
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C48H81N9O8/c1-12-28(7)37-45(62)50-32(11)41(58)54-40(31(10)15-4)48(65)57-39(30(9)14-3)46(63)51-34(23-19-20-24-49)42(59)55-38(29(8)13-2)47(64)53-36(26-33-21-17-16-18-22-33)43(60)52-35(25-27(5)6)44(61)56-37/h16-18,21-22,27-32,34-40H,12-15,19-20,23-26,49H2,1-11H3,(H,50,62)(H,51,63)(H,52,60)(H,53,64)(H,54,58)(H,55,59)(H,56,61)(H,57,65)/t28-,29-,30-,31-,32+,34-,35+,36+,37-,38-,39+,40-/m0/s1
InChIKeyNPYICXUUGUJPMM-QIUOYRCFSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (23745669)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Surugamide A (CHEBI:202623) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6R,9S,12R,15S,18R,21R,24S)-3-(4-aminobutyl)-21-benzyl-6,9,15,24-tetrakis[(2S)-butan-2-yl]-12-methyl-18-(2-methylpropyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Manual XrefsDatabases
73930360ChemSpider