4-(2'-carboxyphenyl)-4-oxobutyryl-CoA

2-[4-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino}-1-oxidopropylidene)amino]ethyl}sulphanyl)-4-oxobutanoyl]benzoic acid

Formula: C32H39N7O20P3S (966.1183)
Chinese Name:
BioDeep ID: BioDeep_00000228869 ( View LC/MS Profile)
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C(N)N=CN=C12)C(O)C([O-])=NCCC([O-])=NCCSC(=O)CCC(=O)C1=CC=CC=C1C([O-])=O



Found 18 Sample Hits

m/z Adducts Species Organ Scanning Sample
949.1206 [M+H-H2O]+
PPM:5.8		 Homo sapiens Liver MALDI (DHB)
20171107_FIT4_DHBpos_p70_s50 - Rappez et al (2021) SpaceM reveals metabolic states of single cells
Resolution: 50μm, 70x70

Description

966.1214 [M]+
PPM:3.7		 Homo sapiens Liver MALDI (DHB)
20171107_FIT4_DHBpos_p70_s50 - Rappez et al (2021) SpaceM reveals metabolic states of single cells
Resolution: 50μm, 70x70

Description

967.1307 [M+H]+
PPM:5.3		 Homo sapiens Liver MALDI (DHB)
20171107_FIT4_DHBpos_p70_s50 - Rappez et al (2021) SpaceM reveals metabolic states of single cells
Resolution: 50μm, 70x70

Description

966.1483 [M-H2O+NH4]+
PPM:6.9		 Mus musculus Left upper arm MALDI (CHCA)
357_l_total ion count - Limb defect imaging - Monash University
Resolution: 50μm, 97x131

Description

Diseased
967.1302 [M+H]+
PPM:4.7		 Mus musculus Left upper arm MALDI (CHCA)
357_l_total ion count - Limb defect imaging - Monash University
Resolution: 50μm, 97x131

Description

Diseased
931.1111 [M+H-2H2O]+
PPM:7.1		 Mytilus edulis mantle MALDI (DHB)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960
Resolution: 10μm, 270x210

Description

949.1222 [M+H-H2O]+
PPM:7.5		 Mytilus edulis mantle MALDI (DHB)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960
Resolution: 10μm, 270x210

Description

967.1354 [M+H]+
PPM:10.1		 Mytilus edulis mantle MALDI (DHB)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960
Resolution: 10μm, 270x210

Description

984.162 [M+NH4]+
PPM:10		 Mytilus edulis mantle MALDI (DHB)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960
Resolution: 10μm, 270x210

Description

989.117 [M+Na]+
PPM:9.5		 Mytilus edulis mantle MALDI (DHB)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960
Resolution: 10μm, 270x210

Description

949.1212 [M+H-H2O]+
PPM:6.5		 Mytilus edulis gill MALDI (DHB)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell
967.1345 [M+H]+
PPM:9.2		 Mytilus edulis gill MALDI (DHB)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell
989.116 [M+Na]+
PPM:8.5		 Mytilus edulis gill MALDI (DHB)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell
931.1113 [M+H-2H2O]+
PPM:7.3		 Mytilus edulis mantle MALDI (DHB)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960
Resolution: 10μm, 275x210

Description

949.1222 [M+H-H2O]+
PPM:7.5		 Mytilus edulis mantle MALDI (DHB)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960
Resolution: 10μm, 275x210

Description

967.1353 [M+H]+
PPM:10		 Mytilus edulis mantle MALDI (DHB)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960
Resolution: 10μm, 275x210

Description

984.1624 [M+NH4]+
PPM:10.4		 Mytilus edulis mantle MALDI (DHB)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960
Resolution: 10μm, 275x210

Description

989.1168 [M+Na]+
PPM:9.3		 Mytilus edulis mantle MALDI (DHB)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960
Resolution: 10μm, 275x210

Description


4-(2-carboxyphenyl)-4-oxobutyryl-coa, also known as 2-succinylbenzoyl-coa or 2-(3-carboxypropionyl)benzoyl-coa, is a member of the class of compounds known as acyl coas. Acyl coas are organic compounds containing a coenzyme A substructure linked to an acyl chain. 4-(2-carboxyphenyl)-4-oxobutyryl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-(2-carboxyphenyl)-4-oxobutyryl-coa can be found in a number of food items such as spinach, lettuce, date, and chervil, which makes 4-(2-carboxyphenyl)-4-oxobutyryl-coa a potential biomarker for the consumption of these food products.