EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210527 - Surugamide J

ChEBI IDCHEBI:210527
ChEBI NameSurugamide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H71N9O8
Net Charge0
Average Mass842.096
Monoisotopic Mass841.54256
SMILESCC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C43H71N9O8/c1-22(2)31-39(56)45-27(11)36(53)48-34(25(7)8)42(59)52-33(24(5)6)40(57)46-29(19-15-16-20-44)37(54)49-32(23(3)4)41(58)47-30(21-28-17-13-12-14-18-28)38(55)50-35(26(9)10)43(60)51-31/h12-14,17-18,22-27,29-35H,15-16,19-21,44H2,1-11H3,(H,45,56)(H,46,57)(H,47,58)(H,48,53)(H,49,54)(H,50,55)(H,51,60)(H,52,59)/t27-,29+,30-,31+,32+,33-,34+,35-/m1/s1
InChIKeyYVCKNKIIKYXLFR-HUTBNGIYSA-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 J (CHEBI:210527) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6R,9S,12R,15S,18R,21R,24S)-3-(4-aminobutyl)-21-benzyl-12-methyl-6,9,15,18,24-penta(propan-2-yl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Manual XrefsDatabases
78440586ChemSpider