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CHEBI:227666 - Salinamide A

ChEBI IDCHEBI:227666
ChEBI NameSalinamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H69N7O15
Net Charge0
Average Mass1020.147
Monoisotopic Mass1019.48516
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](C)[C@@H](O)C(C)C)[C@H](C)OC(=O)[C@H]2COC(=O)CNC(=O)/C=C/[C@@]3(CO3)[C@H](C)Oc3ccc(cc3)[C@@H](NC1=O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](C)O)C(=O)N2
InChIInChI=1S/C51H69N7O15/c1-10-27(4)39-46(65)57-42-33-16-18-34(19-17-33)73-31(8)51(25-71-51)21-20-37(60)52-23-38(61)70-24-35(50(69)72-30(7)41(48(67)54-39)56-44(63)28(5)43(62)26(2)3)53-47(66)40(29(6)59)55-45(64)36(58(9)49(42)68)22-32-14-12-11-13-15-32/h11-21,26-31,35-36,39-43,59,62H,10,22-25H2,1-9H3,(H,52,60)(H,53,66)(H,54,67)(H,55,64)(H,56,63)(H,57,65)/b21-20+/t27-,28+,29+,30+,31+,35-,36-,39+,40+,41-,42-,43+,51-/m1/s1
InChIKeyUIHLRTKYJPYYEU-OBBNVNRZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1021/ja00081a042)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Salinamide A (CHEBI:227666) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,3S)-N-[(1R,7S,8R,9E,17R,20S,21R,24S,29R,32S)-29-benzyl-24-[(2R)-butan-2-yl]-32-[(1S)-1-hydroxyethyl]-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxospiro[6,15,19-trioxa-12,23,26,28,31,34-hexazatricyclo[15.9.8.22,5]hexatriaconta-2(36),3,5(35),9-tetraene-8,2'-oxirane]-21-yl]-3-hydroxy-2,4-dimethylpentanamide
Manual XrefsDatabases
8278064ChemSpider