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CHEBI:208375 - Seongsanamide C

ChEBI IDCHEBI:208375
ChEBI NameSeongsanamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H78N8O12
Net Charge0
Average Mass1019.251
Monoisotopic Mass1018.57392
SMILESCCCC(=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/C53H78N8O12/c1-12-14-43(63)55-36(21-27(3)4)47(65)54-31(10)46(64)56-39-24-33-15-18-35(19-16-33)73-42-26-34(17-20-41(42)62)25-40-53(71)72-32(11)45(61-50(39)68)52(70)58-37(22-28(5)6)48(66)57-38(23-29(7)8)49(67)60-44(30(9)13-2)51(69)59-40/h15-20,26-32,36-40,44-45,62H,12-14,21-25H2,1-11H3,(H,54,65)(H,55,63)(H,56,64)(H,57,66)(H,58,70)(H,59,69)(H,60,67)(H,61,68)/t30-,31+,32+,36-,37+,38-,39+,40-,44-,45-/m0/s1
InChIKeyKBKMUXNIVWGYJS-LAVOEFAISA-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 C (CHEBI:208375) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-(butanoylamino)-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
71048712ChemSpider