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CHEBI:208382 - Seongsanamide D

ChEBI IDCHEBI:208382
ChEBI NameSeongsanamide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC54H80N8O12
Net Charge0
Average Mass1033.278
Monoisotopic Mass1032.58957
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(=O)CC(C)C)Cc3ccc(cc3)Oc3cc(ccc3O)C[C@H](NC1=O)C(=O)O[C@@H]2C
InChIInChI=1S/C54H80N8O12/c1-13-31(10)45-52(70)60-41-25-35-16-19-42(63)43(26-35)74-36-17-14-34(15-18-36)24-40(57-47(65)32(11)55-48(66)37(20-27(2)3)56-44(64)23-30(8)9)51(69)62-46(33(12)73-54(41)72)53(71)59-38(21-28(4)5)49(67)58-39(22-29(6)7)50(68)61-45/h14-19,26-33,37-41,45-46,63H,13,20-25H2,1-12H3,(H,55,66)(H,56,64)(H,57,65)(H,58,67)(H,59,71)(H,60,70)(H,61,68)(H,62,69)/t31-,32+,33+,37-,38+,39-,40+,41-,45-,46-/m0/s1
InChIKeyRUJRXXAOXOPPRI-PBJUOQMESA-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 D (CHEBI:208382) 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-(3-methylbutanoylamino)pentanamide
Manual XrefsDatabases
71048713ChemSpider