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

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ChEBI Name (3R,13Z)-3-hydroxydocosenoyl-CoA
ChEBI ID CHEBI:76511
ChEBI ASCII Name (3R,13Z)-3-hydroxydocosenoyl-CoA
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H76N7O18P3S
Net Charge 0
Average Mass 1104.08600
Monoisotopic Mass 1103.41804
InChI InChI=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
InChIKey FIPHCVZAQUEADL-OFJXWJRPSA-N
SMILES CCCCCCCC\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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 A ChEBI
Last Modified
31 March 2015