CHEBI:77547 - undecanoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name undecanoyl-CoA(4−)
ChEBI ID CHEBI:77547
ChEBI ASCII Name undecanoyl-CoA(4-)
Definition An acyl-CoA(4−) species arising from deprotonation of the phosphate and diphosphate OH groups of undecanoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C32H52N7O17P3S
Net Charge -4
Average Mass 931.78000
Monoisotopic Mass 931.23752
InChI InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/t21-,25-,26-,27+,31-/m1/s1
InChIKey IZWCGXGZGYKDHR-GRBGHKMPSA-J
SMILES CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing undecanoyl-CoA(4−) (CHEBI:77547) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
undecanoyl-CoA(4−) (CHEBI:77547) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
undecanoyl-CoA(4−) (CHEBI:77547) is conjugate acid of undecanoyl-CoA (CHEBI:78176)
Incoming undecanoyl-CoA (CHEBI:78176) is conjugate base of undecanoyl-CoA(4−) (CHEBI:77547)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(undecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] diphosphate}
Synonyms Sources
undecanoyl-CoA UniProt
undecanoyl-coenzyme A(4−) ChEBI
Citation Waiting for Citations Type Source
16020546 PubMed citation SUBMITTER
Last Modified
09 December 2015