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CHEBI:216864 - Prolinimine D

ChEBI IDCHEBI:216864
ChEBI NameProlinimine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H42N6O9
Net Charge0
Average Mass690.754
Monoisotopic Mass690.30133
SMILESCOC(=O)[C@@H]1CCCN1N=Cc1ccc(Cc2cc(Cc3ccc(C=NN4CCC[C@H]4C(=O)OC)o3)c(C=NN3CCC[C@H]3C(=O)OC)o2)o1
InChIInChI=1S/C35H42N6O9/c1-45-33(42)29-7-4-14-39(29)36-20-26-12-10-24(48-26)17-23-18-28(50-32(23)22-38-41-16-6-9-31(41)35(44)47-3)19-25-11-13-27(49-25)21-37-40-15-5-8-30(40)34(43)46-2/h10-13,18,20-22,29-31H,4-9,14-17,19H2,1-3H3/t29-,30-,31-/m0/s1
InChIKeyZCTHYOZJCUOZGQ-CHQNGUEUSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (29314856)
ChEBI Ontology
Outgoing Relation(s)
Prolinimine D (CHEBI:216864) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl (2S)-1-[[5-[[5-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]iminomethyl]-4-[[5-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]iminomethyl]uran-2-yl]methyl]uran-2-yl]methyl]uran-2-yl]methylideneamino]pyrrolidine-2-carboxylate