CHEBI:76408 - (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4−)
ChEBI ID CHEBI:76408
ChEBI ASCII Name (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4-)
Definition A 3-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C41H66N7O18P3S
Net Charge -4
Average Mass 1069.98500
Monoisotopic Mass 1069.34198
InChI InChI=1S/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,27-30,34-36,40,49,52-53H,4-7,10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b9-8-,12-11-/t29-,30-,34-,35-,36+,40-/m1/s1
InChIKey MNTSLNSVZACNCX-JPDDAYGWSA-J
SMILES CCCCC\C=C/C\C=C/CCCCCCC[C@@H](O)CC(=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 (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4−) (CHEBI:76408) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4−) (CHEBI:76408) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
(3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4−) (CHEBI:76408) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4−) (CHEBI:76408) is conjugate base of (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA (CHEBI:76524)
Incoming (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA (CHEBI:76524) is conjugate acid of (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4−) (CHEBI:76408)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,11Z,14Z)-3-hydroxyicosa-11,14-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(3R)-hydroxy-(11Z,14Z)-eicosadienoyl-CoA UniProt
(3R,11Z,14Z)-3-hydroxyeicosadienoyl-CoA(4−) ChEBI
(3R,11Z,14Z)-3-hydroxyeicosadienoyl-coenzyme A(4−) ChEBI
(3R,11Z,14Z)-3-hydroxyicosadienoyl-coenzyme A(4−) ChEBI
(R)-3-hydroxy-(11Z,14Z)-icosadienoyl-CoA(4−) ChEBI
(R)-3-hydroxy-(11Z,14Z)-icosadienoyl-coenzyme A(4−) ChEBI
(R)-3-OH-C20:2(ω-6)-CoA(4−) SUBMITTER
D-3-OH-C20:2(ω-6)-CoA(4−) SUBMITTER
Last Modified
27 July 2021