CHEBI:142871 - 4-nitrobenzoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-nitrobenzoyl-CoA(4−)
ChEBI ID CHEBI:142871
ChEBI ASCII Name 4-nitrobenzoyl-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C28H35N8O19P3S
Net Charge -4
Average Mass 912.608
Monoisotopic Mass 912.09740
InChI InChI=1S/C28H39N8O19P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-59-27(41)15-3-5-16(6-4-15)36(42)43)12-52-58(49,50)55-57(47,48)51-11-17-21(54-56(44,45)46)20(38)26(53-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/p-4/t17-,20-,21-,22+,26-/m1/s1
InChIKey MQPUEXKBWYQBOT-TYHXJLICSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC=C(C=C4)[N+]([O-])=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 4-nitrobenzoyl-CoA(4−) (CHEBI:142871) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
4-nitrobenzoyl-CoA UniProt
Manual Xref Database
CPD-21840 MetaCyc accession
View more database links
Citations Types Sources
14700630 PubMed citation SUBMITTER
15812854 PubMed citation SUBMITTER
22799266 PubMed citation SUBMITTER