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CHEBI:210593 - Surugamide G

ChEBI IDCHEBI:210593
ChEBI NameSurugamide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H77N9O8
Net Charge0
Average Mass884.177
Monoisotopic Mass883.58951
SMILESCC[C@@H](C)[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC1=O
InChIInChI=1S/C46H77N9O8/c1-12-28(9)37-46(63)51-34(24-31-19-15-14-16-20-31)41(58)50-33(23-25(3)4)42(59)53-35(26(5)6)43(60)48-30(11)39(56)52-36(27(7)8)44(61)55-38(29(10)13-2)45(62)49-32(40(57)54-37)21-17-18-22-47/h14-16,19-20,25-30,32-38H,12-13,17-18,21-24,47H2,1-11H3,(H,48,60)(H,49,62)(H,50,58)(H,51,63)(H,52,56)(H,53,59)(H,54,57)(H,55,61)/t28-,29+,30+,32-,33+,34+,35-,36-,37-,38+/m0/s1
InChIKeyVRYZWSZFZYBTFQ-LJDYBURRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies JAMM992 (ncbitaxon:2302910) - PubMed (28590725)
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 G (CHEBI:210593) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6R,9S,12R,15S,18R,21R,24S)-3-(4-aminobutyl)-21-benzyl-24-[(2S)-butan-2-yl]-6-[(2R)-butan-2-yl]-12-methyl-18-(2-methylpropyl)-9,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Manual XrefsDatabases
78440594ChemSpider