EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216857 - Prolinimine C

ChEBI IDCHEBI:216857
ChEBI NameProlinimine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28N4O6
Net Charge0
Average Mass456.499
Monoisotopic Mass456.20088
SMILESCOC(=O)[C@@H]1CCCN1N=Cc1ccc(Cc2ccc(C=NN3CCC[C@H]3C(=O)OC)o2)o1
InChIInChI=1S/C23H28N4O6/c1-30-22(28)20-5-3-11-26(20)24-14-18-9-7-16(32-18)13-17-8-10-19(33-17)15-25-27-12-4-6-21(27)23(29)31-2/h7-10,14-15,20-21H,3-6,11-13H2,1-2H3/t20-,21-/m0/s1
InChIKeyLWTBDUSFHZQMQI-SFTDATJTSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (29314856)
ChEBI Ontology
Outgoing Relation(s)
Prolinimine C (CHEBI:216857) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl (2S)-1-[[5-[[5-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]iminomethyl]uran-2-yl]methyl]uran-2-yl]methylideneamino]pyrrolidine-2-carboxylate