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CHEBI:217498 - TAN-1496 C

ChEBI IDCHEBI:217498
ChEBI NameTAN-1496 C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N2O9S3
Net Charge0
Average Mass560.672
Monoisotopic Mass560.09569
SMILESCC(=O)O[C@H]1[C@]2(OC(C)=O)C[C@]34SSS[C@](CO)(C(=O)N3[C@@H]2C[C@@]12O[C@H](C)C(C)(C)C2=O)N(C)C4=O
InChIInChI=1S/C22H28N2O9S3/c1-10-18(4,5)14(28)19(32-10)7-13-20(33-12(3)27,15(19)31-11(2)26)8-21-16(29)23(6)22(9-25,35-36-34-21)17(30)24(13)21/h10,13,15,25H,7-9H2,1-6H3/t10-,13-,15-,19+,20+,21-,22-/m1/s1
InChIKeyMGCIFJUWYBXMLR-FWVPEBJBSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - PubMed (8002382)
ChEBI Ontology
Outgoing Relation(s)
TAN-1496 C (CHEBI:217498) has functional parent α-amino acid (CHEBI:33704)
TAN-1496 C (CHEBI:217498) is a organonitrogen compound (CHEBI:35352)
TAN-1496 C (CHEBI:217498) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,3S,4S,5R,5'R,7R,10R)-3-acetyloxy-10-(hydroxymethyl)-4',4',5',15-tetramethyl-3',9,14-trioxospiro[11,12,13-trithia-8,15-diazatetracyclo[8.3.2.01,8.03,7]pentadecane-5,2'-oxolane]-4-yl] acetate
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