EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:76557 - (3R,11Z)-3-hydroxyoctadecenoyl-CoA(4−)

ChEBI IDCHEBI:76557
ChEBI Name(3R,11Z)-3-hydroxyoctadecenoyl-CoA(4−)
Stars
ASCII Name(3R,11Z)-3-hydroxyoctadecenoyl-CoA(4-)
DefinitionAn (R)-3-hydroxyacyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,11Z)-3-hydroxyoctadecenoyl-CoA; major species at pH 7.3.
Last Modified27 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC39H64N7O18P3S
Net Charge-4
Average Mass1043.961
Monoisotopic Mass1043.32633
SMILESCCCCCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h9-10,25-28,32-34,38,47,50-51H,4-8,11-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b10-9-/t27-,28-,32-,33-,34+,38-/m1/s1
InChIKeySCDXBWNPJAGEEK-ORSZBQJQSA-J
ChEBI Ontology
Outgoing Relation(s)
(3R,11Z)-3-hydroxyoctadecenoyl-CoA(4−) (CHEBI:76557) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(3R,11Z)-3-hydroxyoctadecenoyl-CoA(4−) (CHEBI:76557) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(3R,11Z)-3-hydroxyoctadecenoyl-CoA(4−) (CHEBI:76557) is conjugate base of (3R,11Z)-3-hydroxyoctadecenoyl-CoA (CHEBI:76900)
Incoming Relation(s)
(3R,11Z)-3-hydroxyoctadecenoyl-CoA (CHEBI:76900) is conjugate acid of (3R,11Z)-3-hydroxyoctadecenoyl-CoA(4−) (CHEBI:76557)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,11Z)-3-hydroxyoctadec-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
D-3-hydroxy-(11Z)-octadecenoyl-CoA(4−)SUBMITTER
(R)-3-OH-C18:1(ω-7)-CoA(4−)SUBMITTER
(R)-3-hydroxy-(11Z)-octadecenoyl-CoA(4−)ChEBI
(R)-3-hydroxy-(11Z)-octadecenoyl-coenzyme A(4−)ChEBI
(3R,11Z)-3-hydroxyoctadecenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(R)-3-hydroxy-(11Z)-octadecenoyl-CoAUniProt