CHEBI:76889 - (9Z,12Z)-hexadecadienoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (9Z,12Z)-hexadecadienoyl-CoA
ChEBI ID CHEBI:76889
ChEBI ASCII Name (9Z,12Z)-hexadecadienoyl-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 (9Z,12Z)-hexadecadienoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C37H62N7O17P3S
Net Charge 0
Average Mass 1001.91100
Monoisotopic Mass 1001.31358
InChI InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h6-7,9-10,24-26,30-32,36,47-48H,4-5,8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b7-6-,10-9-/t26-,30-,31-,32+,36-/m1/s1
InChIKey CQXSJFXWARGOBE-PCRJDALTSA-N
SMILES CCC\C=C/C\C=C/CCCCCCCC(=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 (9Z,12Z)-hexadecadienoyl-CoA (CHEBI:76889) has functional parent (9Z,12Z)-hexadecadienoic acid (CHEBI:77522)
(9Z,12Z)-hexadecadienoyl-CoA (CHEBI:76889) is a long-chain fatty acyl-CoA (CHEBI:33184)
(9Z,12Z)-hexadecadienoyl-CoA (CHEBI:76889) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(9Z,12Z)-hexadecadienoyl-CoA (CHEBI:76889) is conjugate acid of (9Z,12Z)-hexadecadienoyl-CoA(4−) (CHEBI:76552)
Incoming (9Z,12Z)-hexadecadienoyl-CoA(4−) (CHEBI:76552) is conjugate base of (9Z,12Z)-hexadecadienoyl-CoA (CHEBI:76889)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z)-hexadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(9Z,12Z)-hexadecadienoyl-coenzyme A ChEBI
9,12-cis-hexadecadienoyl-CoA MetaCyc
Manual Xref Database
CPD-10254 MetaCyc
View more database links
Last Modified
26 February 2014