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CHEBI:210521 - Surugamide I

ChEBI IDCHEBI:210521
ChEBI NameSurugamide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H73N9O8
Net Charge0
Average Mass856.123
Monoisotopic Mass855.55821
SMILESCC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=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)NC1=O
InChIInChI=1S/C44H73N9O8/c1-23(2)21-31-40(57)52-33(24(3)4)41(58)46-28(11)37(54)50-36(27(9)10)44(61)53-35(26(7)8)42(59)47-30(19-15-16-20-45)38(55)51-34(25(5)6)43(60)49-32(39(56)48-31)22-29-17-13-12-14-18-29/h12-14,17-18,23-28,30-36H,15-16,19-22,45H2,1-11H3,(H,46,58)(H,47,59)(H,48,56)(H,49,60)(H,50,54)(H,51,55)(H,52,57)(H,53,61)/t28-,30+,31-,32-,33+,34+,35-,36+/m1/s1
InChIKeyBVNDPZOTDCKYRQ-GMEMOIHRSA-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 I (CHEBI:210521) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6R,9S,12R,15S,18R,21R,24S)-3-(4-aminobutyl)-21-benzyl-12-methyl-18-(2-methylpropyl)-6,9,15,24-tetra(propan-2-yl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Manual XrefsDatabases
78440585ChemSpider