CHEBI:76908 - (3R,13Z)-3-hydroxyicosenoyl-CoA

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ChEBI Name (3R,13Z)-3-hydroxyicosenoyl-CoA
ChEBI ID CHEBI:76908
ChEBI ASCII Name (3R,13Z)-3-hydroxyicosenoyl-CoA
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,13Z)-3-hydroxyicosenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C41H72N7O18P3S
Net Charge 0
Average Mass 1076.03300
Monoisotopic Mass 1075.38674
InChI InChI=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/h9-10,27-30,34-36,40,49,52-53H,4-8,11-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b10-9-/t29-,30-,34-,35-,36+,40-/m1/s1
InChIKey MNTYKYKLBOOZFS-ZCOJPPKVSA-N
SMILES CCCCCC\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-hydroxyicosenoyl-CoA (CHEBI:76908) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456)
(3R,13Z)-3-hydroxyicosenoyl-CoA (CHEBI:76908) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
(3R,13Z)-3-hydroxyicosenoyl-CoA (CHEBI:76908) is a long-chain fatty acyl-CoA (CHEBI:33184)
(3R,13Z)-3-hydroxyicosenoyl-CoA (CHEBI:76908) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(3R,13Z)-3-hydroxyicosenoyl-CoA (CHEBI:76908) is conjugate acid of (3R,13Z)-3-hydroxyicosenoyl-CoA(4−) (CHEBI:76561)
Incoming (3R,13Z)-3-hydroxyicosenoyl-CoA(4−) (CHEBI:76561) is conjugate base of (3R,13Z)-3-hydroxyicosenoyl-CoA (CHEBI:76908)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,13Z)-3-hydroxyicos-13-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(3R,13Z)-3-hydroxyeicosenoyl-CoA ChEBI
(3R,13Z)-3-hydroxyeicosenoyl-coenzyme A ChEBI
(3R,13Z)-3-hydroxyicosenoyl-coenzyme A ChEBI
(R)-3-hydroxy-(13Z)-eicosenoyl-CoA ChEBI
(R)-3-hydroxy-(13Z)-eicosenoyl-coenzyme A ChEBI
(R)-3-hydroxy-(13Z)-icosenoyl-CoA ChEBI
(R)-3-hydroxy-(13Z)-icosenoyl-coenzyme A ChEBI
Last Modified
31 March 2015