Np mrd loader

Record Information
Version1.0
Created at2023-02-08 00:00:47 UTC
Updated at2024-05-13 01:13:38 UTC
NP-MRD IDNP0331492
Secondary Accession NumbersNone
Natural Product Identification
Common NameUnguisin I
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC40H54N8O7
Average Mass758.9210 Da
Monoisotopic Mass758.41155 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@@]1(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](C)NC1=O)[C@H](C)C1=CC=CC=C1
InChI Identifier
InChI=1S/C40H54N8O7/c1-22(2)19-31-39(54)48-34(23(3)27-13-8-7-9-14-27)40(55)45-26(6)37(52)47-32(20-28-21-42-30-16-11-10-15-29(28)30)38(53)41-18-12-17-33(49)43-24(4)35(50)44-25(5)36(51)46-31/h7-11,13-16,21-26,31-32,34,42H,12,17-20H2,1-6H3,(H,41,53)(H,43,49)(H,44,50)(H,45,55)(H,46,51)(H,47,52)(H,48,54)/t23-,24-,25-,26-,31+,32-,34-/m1/s1
InChI KeySILOBYSXIDJCKJ-IIJRNKKVSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
campestris CBS 348.81
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. Wei X, Chan TK, Kong CTD, Matsuda Y: Biosynthetic Characterization, Heterologous Production, and Genomics-Guided Discovery of GABA-Containing Fungal Heptapeptides. J Nat Prod. 2023 Feb 24;86(2):416-422. doi: 10.1021/acs.jnatprod.2c01065. Epub 2023 Jan 30. [PubMed:36715406 ]