CHEBI:74118 - 2-hydroxytetracosanoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxytetracosanoyl-CoA(4−)
ChEBI ID CHEBI:74118
ChEBI ASCII Name 2-hydroxytetracosanoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxytetracosanoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C45H78N7O18P3S
Net Charge -4
Average Mass 1130.12300
Monoisotopic Mass 1129.43589
InChI InChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(53)44(58)74-28-27-47-35(54)25-26-48-42(57)39(56)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-38(69-71(59,60)61)37(55)43(68-34)52-32-51-36-40(46)49-31-50-41(36)52/h31-34,37-39,43,53,55-56H,4-30H2,1-3H3,(H,47,54)(H,48,57)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t33?,34-,37-,38-,39+,43-/m1/s1
InChIKey RFMGUQJXIXHESC-YPMIVOHTSA-J
SMILES CCCCCCCCCCCCCCCCCCCCCCC(O)C(=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 2-hydroxytetracosanoyl-CoA(4−) (CHEBI:74118) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
2-hydroxytetracosanoyl-CoA(4−) (CHEBI:74118) is a fatty acyl-CoA(4−) (CHEBI:77636)
2-hydroxytetracosanoyl-CoA(4−) (CHEBI:74118) is conjugate base of 2-hydroxytetracosanoyl-CoA (CHEBI:74140)
Incoming 2-hydroxytetracosanoyl-CoA (CHEBI:74140) is conjugate acid of 2-hydroxytetracosanoyl-CoA(4−) (CHEBI:74118)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxytetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
2-hydroxy-C24:0-CoA(4−) SUBMITTER
2-hydroxylignoceroyl-CoA(4−) SUBMITTER
2-hydroxylignoceroyl-coenzyme A(4−) ChEBI
2-hydroxytetracosanoyl-CoA UniProt
2-hydroxytetracosanoyl-coenzyme A(4−) SUBMITTER
2-OH-C24:0-CoA(4−) SUBMITTER
2-OH-lignoceroyl-CoA(4−) SUBMITTER
2-OH-tetracosanoyl-CoA(4−) SUBMITTER
Last Modified
31 March 2015