Nummularine B

(2S)-N-[(2S)-1-[(3S,7S,10R,13Z)-10-Benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0,]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanimidate

Formula: C32H41N5O6 (591.3057)
Chinese Name:
BioDeep ID: BioDeep_00000019680 ( View LC/MS Profile)
SMILES: [H][C@]12CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@]1([H])C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N\C=C/C1=C(OC)C=CC(O2)=C1



Found 9 Sample Hits

m/z Adducts Species Organ Scanning Sample
591.3249 [M-H2O+NH4]+
PPM:6.8		 Rattus norvegicus Epididymis MALDI (DHB)
epik_dhb_head_ito03_18 - MTBLS58
Resolution: 17μm, 208x104

Description

592.3203 [M+H]+
PPM:12.4		 Rattus norvegicus Epididymis MALDI (DHB)
epik_dhb_head_ito08_44 - MTBLS58
Resolution: 17μm, 299x111

Description

592.319 [M+H]+
PPM:10.2		 Rattus norvegicus Epididymis MALDI (DHB)
epik_dhb_head_ito01_04 - MTBLS58
Resolution: 17μm, 178x91

Description

591.3248 [M-H2O+NH4]+
PPM:7		 Rattus norvegicus normal MALDI (DHB)
epik_dhb_head_ito01_05 - MTBLS58
Resolution: 17μm, 183x105

Description

592.3229 [M+H]+
PPM:16.8		 Rattus norvegicus normal MALDI (DHB)
epik_dhb_head_ito01_05 - MTBLS58
Resolution: 17μm, 183x105

Description

592.3195 [M+H]+
PPM:11.1		 Rattus norvegicus Epididymis MALDI (DHB)
epik_dhb_head_ito03_14 - MTBLS58
Resolution: 17μm, 205x103

Description

556.2878 [M+H-2H2O]+
PPM:7.2		 Homo sapiens esophagus DESI ()
LNTO22_1_4 - MTBLS385
Resolution: 17μm, 82x80

Description

592.3084 [M+H]+
PPM:7.7		 Homo sapiens esophagus DESI ()
LNTO22_1_4 - MTBLS385
Resolution: 17μm, 82x80

Description

556.2932 [M+H-2H2O]+
PPM:2.5		 Homo sapiens colorectal adenocarcinoma DESI ()
439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Nummularine B belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Nummularine B is a very strong basic compound (based on its pKa). Nummularine B is found in fruits. Nummularine B is an alkaloid from the stem bark of Zizyphus jujuba (Chinese date).