CHEBI:204574 - Vertihemiptellide A

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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 A
ChEBI ID CHEBI:204574
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28N4O6S4
Net Charge 0
Average Mass 620.770
Monoisotopic Mass 620.08917
InChI InChI=1S/C26H28N4O6S4/c1-29-21(35)23(15-31)27-19(33)25(29,13-17-9-5-3-6-10-17)39-38-24(16-32)22(36)30(2)26(40-37-23,20(34)28-24)14-18-11-7-4-8-12-18/h3-12,31-32H,13-16H2,1-2H3,(H,27,33)(H,28,34)/t23-,24-,25-,26-/m1/s1
InChIKey KXIZPSCHKWRWDA-VEYUFSJPSA-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)N(C2=O)C)CO
Metabolite of Species Details
[Torrubiella hemipterigena (NCBI:txid1531966) See: PubMed
ChEBI Ontology
Outgoing Vertihemiptellide A (CHEBI:204574) has functional parent α-amino acid (CHEBI:33704)
Vertihemiptellide A (CHEBI:204574) is a organonitrogen compound (CHEBI:35352)
Vertihemiptellide A (CHEBI:204574) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4R,7R,10R)-4,10-dibenzyl-1,7-bis(hydroxymethyl)-5,11-dimethyl-2,3,8,9-tetrathia-5,11,13,15-tetrazatricyclo[8.2.2.24,7]hexadecane-6,12,14,16-tetrone
Manual Xref Database
4440537 ChemSpider
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