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CHEBI:207396 - TAN-1496-D

ChEBI IDCHEBI:207396
ChEBI NameTAN-1496-D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N2O7S2
Net Charge0
Average Mass444.531
Monoisotopic Mass444.10249
SMILESC[C@H]1O[C@@]2(C[C@H]3N4C(=O)C5(CO)SS[C@]4(C[C@@]3(O)[C@@H]2O)C(=O)N5C)C(=O)C1(C)C
InChIInChI=1S/C18H24N2O7S2/c1-8-14(2,3)10(22)16(27-8)5-9-15(26,11(16)23)6-17-12(24)19(4)18(7-21,29-28-17)13(25)20(9)17/h8-9,11,21,23,26H,5-7H2,1-4H3/t8-,9-,11+,15+,16+,17-,18?/m1/s1
InChIKeyODGGLAWTFMFKDG-RCRWIJFNSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - PubMed (8002382)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
TAN-1496-D (CHEBI:207396) is a 2,5-diketopiperazines (CHEBI:65061)
TAN-1496-D (CHEBI:207396) is a indoles (CHEBI:24828)
TAN-1496-D (CHEBI:207396) is a organic disulfide (CHEBI:35489)
TAN-1496-D (CHEBI:207396) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1R,3S,4S,5R,5'R,7R)-3,4-dihydroxy-10-(hydroxymethyl)-4',4',5',14-tetramethylspiro[11,12-dithia-8,14-diazatetracyclo[8.2.2.01,8.03,7]tetradecane-5,2'-oxolane]-3',9,13-trione