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CHEBI:208362 - Seongsanamide A

ChEBI IDCHEBI:208362
ChEBI NameSeongsanamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC52H76N8O12
Net Charge0
Average Mass1005.224
Monoisotopic Mass1004.55827
SMILESCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H]1Cc2ccc(cc2)Oc2cc(ccc2O)C[C@@H]2NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC1=O)[C@@H](C)OC2=O
InChIInChI=1S/C52H76N8O12/c1-12-29(9)43-50(68)58-39-24-33-16-19-40(61)41(25-33)72-34-17-14-32(15-18-34)23-38(55-45(63)30(10)53-46(64)35(20-26(3)4)54-42(62)13-2)49(67)60-44(31(11)71-52(39)70)51(69)57-36(21-27(5)6)47(65)56-37(22-28(7)8)48(66)59-43/h14-19,25-31,35-39,43-44,61H,12-13,20-24H2,1-11H3,(H,53,64)(H,54,62)(H,55,63)(H,56,65)(H,57,69)(H,58,68)(H,59,66)(H,60,67)/t29-,30+,31+,35-,36+,37-,38+,39-,43-,44-/m0/s1
InChIKeyDKMVGOUNOOQTMD-CSURFTHISA-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 A (CHEBI:208362) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-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-methyl-2-(propanoylamino)pentanamide
Manual XrefsDatabases
71048710ChemSpider