EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195630 - (3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA

ChEBI IDCHEBI:195630
ChEBI Name(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA
Stars
ASCII Name(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoic acid.
Secondary ChEBI IDCHEBI:193744
Last Modified18 September 2025
SubmitterMetaboLights, mwilliams
DownloadsMolfile
FormulaC41H66N7O18P3S
Net Charge0
Average Mass1069.999
Monoisotopic Mass1069.33979
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C41H66N7O18P3S/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/h5-6,8-9,11-12,14-15,27-30,34-36,40,49,52-53H,4,7,10,13,16-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b6-5-,9-8-,12-11-,15-14-/t29-,30+,34+,35+,36-,40+/m0/s1
InChIKeyPCGPHLMAAZKQFQ-LXHLOETDSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA (CHEBI:195630) is a (S)-3-hydroxyacyl-CoA (CHEBI:15455)
(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA (CHEBI:195630) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA (CHEBI:195630) is a long-chain fatty acyl-CoA (CHEBI:33184)
(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA (CHEBI:195630) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA (CHEBI:195630) is conjugate acid of (3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA(4−) (CHEBI:235487)
(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA (CHEBI:195630) is enantiomer of (3R,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA (CHEBI:76640)
Incoming Relation(s)
(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA(4−) (CHEBI:235487) is conjugate base of (3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA (CHEBI:195630)
(3R,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA (CHEBI:76640) is enantiomer of (3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA (CHEBI:195630)
IUPAC Name 
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadecan-17-yl} (3S,8Z,11Z,14Z,17Z)-3-hydroxyicosa-8,11,14,17-tetraenethioate
Synonyms  Source
3(S)-hydroxy-all-cis-8,11,14,17-eicosatetraenoyl-CoAChEBI
(3S,8Z,11Z,14Z,17Z)-3-hydroxyeicosatetraenoyl-coenzyme AChEBI
(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-coenzyme AChEBI
(S)-3-hydroxy-(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoAChEBI
(S)-3-hydroxy-(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoAChEBI
(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosatetra-8,11,14,17-enoyl-CoAHMDB
Manual XrefsDatabases
HMDB0062202HMDB