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CHEBI:76387 - (3R,11Z)-3-hydroxyicosenoyl-CoA(4−)

ChEBI IDCHEBI:76387
ChEBI Name(3R,11Z)-3-hydroxyicosenoyl-CoA(4−)
Stars
ASCII Name(3R,11Z)-3-hydroxyicosenoyl-CoA(4-)
DefinitionA 3-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,11Z)-3-hydroxyicosenoyl-CoA; major species at pH 7.3.
Last Modified27 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC41H68N7O18P3S
Net Charge-4
Average Mass1072.015
Monoisotopic Mass1071.35763
SMILESCCCCCCCC/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/C41H72N7O18P3S/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/h11-12,27-30,34-36,40,49,52-53H,4-10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b12-11-/t29-,30-,34-,35-,36+,40-/m1/s1
InChIKeyPREOMQKNJXWCLZ-ZHLMIUQRSA-J
ChEBI Ontology
Outgoing Relation(s)
(3R,11Z)-3-hydroxyicosenoyl-CoA(4−) (CHEBI:76387) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(3R,11Z)-3-hydroxyicosenoyl-CoA(4−) (CHEBI:76387) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
(3R,11Z)-3-hydroxyicosenoyl-CoA(4−) (CHEBI:76387) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(3R,11Z)-3-hydroxyicosenoyl-CoA(4−) (CHEBI:76387) is conjugate base of (3R,11Z)-3-hydroxyicosenoyl-CoA (CHEBI:76508)
Incoming Relation(s)
(3R,11Z)-3-hydroxyicosenoyl-CoA (CHEBI:76508) is conjugate acid of (3R,11Z)-3-hydroxyicosenoyl-CoA(4−) (CHEBI:76387)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,11Z)-3-hydroxyicos-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
(R)-3-hydroxy-(11Z)-eicosenoyl-CoA(4−)SUBMITTER
(R)-3-OH-C20:1(n-9)-CoA(4−)SUBMITTER
(3R,11Z)-3-hydroxyeicosenoyl-CoA(4−)ChEBI
(3R,11Z)-3-hydroxyicosenoyl-coenzyme A(4−)ChEBI
(3R,11Z)-3-hydroxyeicosenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(3R)-hydroxy-(11Z)-eicosenoyl-CoAUniProt