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CHEBI:76511 - (3R,13Z)-3-hydroxydocosenoyl-CoA

ChEBI IDCHEBI:76511
ChEBI Name(3R,13Z)-3-hydroxydocosenoyl-CoA
Stars
ASCII Name(3R,13Z)-3-hydroxydocosenoyl-CoA
DefinitionA 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,13Z)-3-hydroxydocosenoic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC43H76N7O18P3S
Net Charge0
Average Mass1104.101
Monoisotopic Mass1103.41804
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)/b12-11-/t31-,32-,36-,37-,38+,42-/m1/s1
InChIKeyFIPHCVZAQUEADL-OFJXWJRPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(3R,13Z)-3-hydroxydocosenoyl-CoA (CHEBI:76511) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456)
(3R,13Z)-3-hydroxydocosenoyl-CoA (CHEBI:76511) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
(3R,13Z)-3-hydroxydocosenoyl-CoA (CHEBI:76511) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(3R,13Z)-3-hydroxydocosenoyl-CoA (CHEBI:76511) is a long-chain fatty acyl-CoA (CHEBI:33184)
(3R,13Z)-3-hydroxydocosenoyl-CoA (CHEBI:76511) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(3R,13Z)-3-hydroxydocosenoyl-CoA (CHEBI:76511) is conjugate acid of (3R,13Z)-3-hydroxydocosenoyl-CoA(4−) (CHEBI:76389)
Incoming Relation(s)
(3R,13Z)-3-hydroxydocosenoyl-CoA(4−) (CHEBI:76389) is conjugate base of (3R,13Z)-3-hydroxydocosenoyl-CoA (CHEBI:76511)
IUPAC Name 
3'-phosphoadenosine 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] dihydrogen diphosphate}
Synonym  Source
(3R,13Z)-3-hydroxydocosenoyl-coenzyme AChEBI