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CHEBI:217914 - Bamylocin A

ChEBI IDCHEBI:217914
ChEBI NameBamylocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H91N7O11S
Net Charge0
Average Mass1022.405
Monoisotopic Mass1021.64973
SMILESCCCCCCCCCCC1CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1
InChIInChI=1S/C52H91N7O11S/c1-11-12-13-14-15-16-17-18-20-36-31-44(60)53-37(22-23-45(61)62)46(63)55-39(27-32(2)3)48(65)54-38(24-26-71-10)47(64)57-41(29-34(6)7)51(68)59-25-19-21-43(59)50(67)56-40(28-33(4)5)49(66)58-42(30-35(8)9)52(69)70-36/h32-43H,11-31H2,1-10H3,(H,53,60)(H,54,65)(H,55,63)(H,56,67)(H,57,64)(H,58,66)(H,61,62)/t36?,37-,38-,39-,40+,41-,42-,43-/m0/s1
InChIKeyFFMMZOOZDVHMHU-IXIQGXNKSA-N
Species of MetaboliteComponentSourceComments
Bacillus amyloliquefaciens (ncbitaxon:1390) - PubMed (17530228)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bamylocin A (CHEBI:217914) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(3S,6S,9S,12S,19S,22R,25S)-16-decyl-3,9,19,22-tetrakis(2-methylpropyl)-6-(2-methylsulanylethyl)-2,5,8,11,14,18,21,24-octaoxo-17-oxa-1,4,7,10,13,20,23-heptazabicyclo[23.3.0]octacosan-12-yl]propanoic acid
Manual XrefsDatabases
78441362ChemSpider