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CHEBI:210514 - Surugamide H

ChEBI IDCHEBI:210514
ChEBI NameSurugamide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H75N9O8
Net Charge0
Average Mass870.150
Monoisotopic Mass869.57386
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(C)C)NC(=O)[C@H](CCCCN)NC1=O
InChIInChI=1S/C45H75N9O8/c1-12-28(10)37-45(62)48-31(20-16-17-21-46)39(56)52-35(26(6)7)43(60)50-33(23-30-18-14-13-15-19-30)40(57)49-32(22-24(2)3)41(58)53-34(25(4)5)42(59)47-29(11)38(55)51-36(27(8)9)44(61)54-37/h13-15,18-19,24-29,31-37H,12,16-17,20-23,46H2,1-11H3,(H,47,59)(H,48,62)(H,49,57)(H,50,60)(H,51,55)(H,52,56)(H,53,58)(H,54,61)/t28-,29-,31+,32-,33-,34+,35+,36+,37-/m1/s1
InChIKeyOYYKBWAFVIAVCP-ZGXYBLOASA-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 H (CHEBI:210514) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6R,9S,12R,15S,18R,21R,24S)-3-(4-aminobutyl)-21-benzyl-6-[(2R)-butan-2-yl]-12-methyl-18-(2-methylpropyl)-9,15,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Manual XrefsDatabases
78440584ChemSpider