CHEBI:73862 - (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−)
ChEBI ID CHEBI:73862
ChEBI ASCII Name (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
Michael Witting
Secondary ChEBI IDs CHEBI:140757
Supplier Information ChemicalBook:CB8309112, eMolecules:477080, ZINC000000157526
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Formula C41H60N7O17P3S
Net Charge -4
Average Mass 1047.950
Monoisotopic Mass 1047.30012
InChI InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1
InChIKey JWZLRYCDDXHXDL-LCMHIRPZSA-J
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=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)N1C=NC2=C1N=CN=C2N
ChEBI Ontology
Outgoing (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−) (CHEBI:73862) is a (11Z)-Δ11-fatty acyl-CoA(4−) (CHEBI:84947)
(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−) (CHEBI:73862) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−) (CHEBI:73862) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−) (CHEBI:73862) is conjugate base of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA (CHEBI:63539)
Incoming (2E,5Z,8Z,11Z,14Z,17Z)-icosahexaenoyl-CoA(4−) (CHEBI:187901) has functional parent (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−) (CHEBI:73862)
(3E,5Z,8Z,11Z,14Z,17Z)-icosahexaenoyl-CoA(4−) (CHEBI:233700) has functional parent (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−) (CHEBI:73862)
(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA (CHEBI:63539) is conjugate acid of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4−) (CHEBI:73862)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] diphosphate}
Synonyms Sources
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA UniProt
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA(4−) SUBMITTER
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-coenzyme A(4−) ChEBI
(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl-CoA(4−) ChEBI
(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-coenzyme A(4−) ChEBI
all-cis-5,8,11,14,17-eicosapentaenoyl-CoA(4−) ChEBI
all-cis-5,8,11,14,17-icosapentaenoyl-CoA(4−) ChEBI
timnodonoyl CoA(4−) ChEBI
timnodonyl CoA(4−) ChEBI
Last Modified
10 December 2021