CHEBI:198820 - Vertihemiptellide B

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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 Vertihemiptellide B
ChEBI ID CHEBI:198820
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26N4O6S4
Net Charge 0
Average Mass 606.750
Monoisotopic Mass 606.07352
InChI InChI=1S/C25H26N4O6S4/c1-29-21(35)24(15-31)28-20(34)25(29,13-17-10-6-3-7-11-17)39-37-23(14-30)19(33)26-22(36-38-24,18(32)27-23)12-16-8-4-2-5-9-16/h2-11,30-31H,12-15H2,1H3,(H,26,33)(H,27,32)(H,28,34)/t22-,23-,24-,25-/m1/s1
InChIKey ZQJZMGLUHHLCJH-ZGFBMJKBSA-N
SMILES S1S[C@]2(NC(=O)[C@](SS[C@@]3(C(N([C@]1(C(=O)N3)CC4=CC=CC=C4)C)=O)CO)(CC5=CC=CC=C5)NC2=O)CO
Metabolite of Species Details
[Torrubiella hemipterigena (NCBI:txid1531966) See: PubMed
ChEBI Ontology
Outgoing Vertihemiptellide B (CHEBI:198820) has functional parent α-amino acid (CHEBI:33704)
Vertihemiptellide B (CHEBI:198820) is a organonitrogen compound (CHEBI:35352)
Vertihemiptellide B (CHEBI:198820) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4R,7R,10R)-4,10-dibenzyl-1,7-bis(hydroxymethyl)-5-methyl-2,3,8,9-tetrathia-5,11,13,15-tetrazatricyclo[8.2.2.24,7]hexadecane-6,12,14,16-tetrone
Manual Xref Database
4440538 ChemSpider
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