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CHEBI:76389 - (3R,13Z)-3-hydroxydocosenoyl-CoA(4−)

ChEBI IDCHEBI:76389
ChEBI Name(3R,13Z)-3-hydroxydocosenoyl-CoA(4−)
Stars
ASCII Name(3R,13Z)-3-hydroxydocosenoyl-CoA(4-)
DefinitionA 3-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,13Z)-3-hydroxydocosenoyl-CoA; major species at pH 7.3.
Last Modified31 March 2015
Submitterlaimo
DownloadsMolfile
FormulaC43H72N7O18P3S
Net Charge-4
Average Mass1100.069
Monoisotopic Mass1099.38893
SMILESCCCCCCCC/C=C\CCCCCCCCC[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/C43H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h11-12,29-32,36-38,42,51,54-55H,4-10,13-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b12-11-/t31-,32-,36-,37-,38+,42-/m1/s1
InChIKeyFIPHCVZAQUEADL-OFJXWJRPSA-J
ChEBI Ontology
Outgoing Relation(s)
(3R,13Z)-3-hydroxydocosenoyl-CoA(4−) (CHEBI:76389) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(3R,13Z)-3-hydroxydocosenoyl-CoA(4−) (CHEBI:76389) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(3R,13Z)-3-hydroxydocosenoyl-CoA(4−) (CHEBI:76389) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
(3R,13Z)-3-hydroxydocosenoyl-CoA(4−) (CHEBI:76389) is conjugate base of (3R,13Z)-3-hydroxydocosenoyl-CoA (CHEBI:76511)
Incoming Relation(s)
(3R,13Z)-3-hydroxydocosenoyl-CoA (CHEBI:76511) is conjugate acid of (3R,13Z)-3-hydroxydocosenoyl-CoA(4−) (CHEBI:76389)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,13Z)-3-hydroxydocos-13-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
(R)-3-OH-C22:1(ω-9)-CoA(4−)SUBMITTER
(3R,13Z)-3-hydroxydocosenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(3R)-hydroxy-(13Z)-docosenoyl-CoAUniProt