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CHEBI:206855 - Samoamide A

ChEBI IDCHEBI:206855
ChEBI NameSamoamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H70N8O8
Net Charge0
Average Mass911.158
Monoisotopic Mass910.53166
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C50H70N8O8/c1-7-32(6)42-50(66)57-25-15-22-39(57)46(62)51-35(28-33-17-10-8-11-18-33)43(59)54-41(31(4)5)47(63)53-37(27-30(2)3)48(64)58-26-16-23-40(58)49(65)56-24-14-21-38(56)45(61)52-36(44(60)55-42)29-34-19-12-9-13-20-34/h8-13,17-20,30-32,35-42H,7,14-16,21-29H2,1-6H3,(H,51,62)(H,52,61)(H,53,63)(H,54,59)(H,55,60)/t32-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChIKeyHXZHQSBZXQKEMC-HBGYEDQKSA-N
Species of MetaboliteComponentSourceComments
Symploca (ncbitaxon:105591) - PubMed (28055219)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Samoamide A (CHEBI:206855) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(1S,7S,10S,13S,19S,22S,25S,28S)-10,22-dibenzyl-13-[(2S)-butan-2-yl]-28-(2-methylpropyl)-25-propan-2-yl-3,9,12,15,21,24,27,30-octazatetracyclo[28.3.0.03,7.015,19]tritriacontane-2,8,11,14,20,23,26,29-octone
Manual XrefsDatabases
61708506ChemSpider