CHEBI:215225 - TAN-1496 E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TAN-1496 E
ChEBI ID CHEBI:215225
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H28N2O9S4
Net Charge 0
Average Mass 592.710
Monoisotopic Mass 592.06777
InChI InChI=1S/C22H28N2O9S4/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(9-25,17(30)24(13)21)35-37-36-34-21/h10,13,15,25H,7-9H2,1-6H3/t10-,13-,15-,19+,20+,21-,22-/m1/s1
InChIKey FPOCEOORHZHPFG-FWVPEBJBSA-N
SMILES S1SS[C@]23N([C@@H]4C[C@@]5(O[C@H](C)C(C5=O)(C)C)[C@H]([C@@]4(C2)OC(=O)C)OC(=O)C)C([C@@](S1)(N(C)C3=O)CO)=O
Metabolite of Species Details
Microsphaeropsis (NCBI:txid107453) See: PubMed
ChEBI Ontology
Outgoing TAN-1496 E (CHEBI:215225) has functional parent α-amino acid (CHEBI:33704)
TAN-1496 E (CHEBI:215225) is a organonitrogen compound (CHEBI:35352)
TAN-1496 E (CHEBI:215225) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(1R,3S,4S,5R,5'R,7R,10R)-3-acetyloxy-10-(hydroxymethyl)-4',4',5',16-tetramethyl-3',9,15-trioxospiro[11,12,13,14-tetrathia-8,16-diazatetracyclo[8.4.2.01,8.03,7]hexadecane-5,2'-oxolane]-4-yl] acetate
Manual Xref Database
8523898 ChemSpider
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