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CHEBI:222489 - Provipeptide A

ChEBI IDCHEBI:222489
ChEBI NameProvipeptide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34N4O4
Net Charge0
Average Mass454.571
Monoisotopic Mass454.25801
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O
InChIInChI=1S/C25H34N4O4/c1-16(2)14-18-24(32)28-12-6-11-21(28)23(31)27-19(15-17-8-4-3-5-9-17)25(33)29-13-7-10-20(29)22(30)26-18/h3-5,8-9,16,18-21H,6-7,10-15H2,1-2H3,(H,26,30)(H,27,31)/t18-,19-,20-,21+/m0/s1
InChIKeyDGVAQUZMNFTFKE-XSDIEEQYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31243345)
ChEBI Ontology
Outgoing Relation(s)
Provipeptide A (CHEBI:222489) has functional parent α-amino acid (CHEBI:33704)
Provipeptide A (CHEBI:222489) is a organonitrogen compound (CHEBI:35352)
Provipeptide A (CHEBI:222489) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6R,12S,15S)-3-benzyl-12-(2-methylpropyl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
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78315786ChemSpider