CHEBI:222495 - Provipeptide 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 Provipeptide B
ChEBI ID CHEBI:222495
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34N4O4
Net Charge 0
Average Mass 454.571
Monoisotopic Mass 454.25801
InChI InChI=1S/C25H34N4O4/c1-3-16(2)21-25(33)29-14-8-11-19(29)22(30)26-18(15-17-9-5-4-6-10-17)24(32)28-13-7-12-20(28)23(31)27-21/h4-6,9-10,16,18-21H,3,7-8,11-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKey VRGZEVRHLKTHMF-UHFFFAOYSA-N
SMILES O=C1N2C(C(=O)NC(C(=O)N3C(C(NC1C(CC)C)=O)CCC3)CC4=CC=CC=C4)CCC2
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Provipeptide B (CHEBI:222495) has functional parent α-amino acid (CHEBI:33704)
Provipeptide B (CHEBI:222495) is a organonitrogen compound (CHEBI:35352)
Provipeptide B (CHEBI:222495) is a organooxygen compound (CHEBI:36963)
IUPAC Name
3-benzyl-12-butan-2-yl-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
Manual Xref Database
78315787 ChemSpider
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