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CHEBI:208388 - Seongsanamide E

ChEBI IDCHEBI:208388
ChEBI NameSeongsanamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H76N8O12
Net Charge0
Average Mass993.213
Monoisotopic Mass992.55827
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)OC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C51H76N8O12/c1-12-29(8)42-49(68)57-41(25-34-15-19-36(62)20-16-34)51(70)71-31(10)43(50(69)56-38(22-27(4)5)46(65)55-39(23-28(6)7)47(66)58-42)59-48(67)40(24-33-13-17-35(61)18-14-33)54-44(63)30(9)52-45(64)37(21-26(2)3)53-32(11)60/h13-20,26-31,37-43,61-62H,12,21-25H2,1-11H3,(H,52,64)(H,53,60)(H,54,63)(H,55,65)(H,56,69)(H,57,68)(H,58,66)(H,59,67)/t29-,30+,31+,37-,38+,39-,40+,41-,42-,43-/m0/s1
InChIKeyYEMNSERJUDIEQA-WAYNOXNASA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (30456957)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Seongsanamide E (CHEBI:208388) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-acetamido-N-[(2R)-1-[[(2R)-1-[[(3S,6S,9S,12R,15S,16R)-6-[(2S)-butan-2-yl]-3-[(4-hydroxyphenyl)methyl]-16-methyl-9,12-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide
Manual XrefsDatabases
71048714ChemSpider