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CHEBI:208367 - Seongsanamide B

ChEBI IDCHEBI:208367
ChEBI NameSeongsanamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H74N8O12
Net Charge0
Average Mass991.197
Monoisotopic Mass990.54262
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O)Cc3ccc(cc3)Oc3cc(ccc3O)C[C@H](NC1=O)C(=O)O[C@@H]2C
InChIInChI=1S/C51H74N8O12/c1-12-28(8)42-49(67)57-39-23-33-15-18-40(61)41(24-33)71-34-16-13-32(14-17-34)22-38(54-44(62)29(9)52-45(63)35(19-25(2)3)53-31(11)60)48(66)59-43(30(10)70-51(39)69)50(68)56-36(20-26(4)5)46(64)55-37(21-27(6)7)47(65)58-42/h13-18,24-30,35-39,42-43,61H,12,19-23H2,1-11H3,(H,52,63)(H,53,60)(H,54,62)(H,55,64)(H,56,68)(H,57,67)(H,58,65)(H,59,66)/t28-,29+,30+,35-,36+,37-,38+,39-,42-,43-/m0/s1
InChIKeyVFPMAWDJYXGIAH-IOKJCCLTSA-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 B (CHEBI:208367) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-acetamido-N-[(2R)-1-[[(1S,14R,17S,20R,23S,26S,31R)-26-[(2S)-butan-2-yl]-6-hydroxy-31-methyl-20,23-bis(2-methylpropyl)-15,18,21,24,27,29-hexaoxo-8,30-dioxa-16,19,22,25,28-pentazatetracyclo[15.11.3.29,12.13,7]tetratriaconta-3(34),4,6,9(33),10,12(32)-hexaen-14-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide
Manual XrefsDatabases
71048711ChemSpider