CHEBI:86122 - (10E,12Z)-hexadecadienoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (10E,12Z)-hexadecadienoyl-CoA(4−)
ChEBI ID CHEBI:86122
ChEBI ASCII Name (10E,12Z)-hexadecadienoyl-CoA(4-)
Definition A polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (10E,12Z)-hexadecadienoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information We are unable to retrieve the vendor information for this entry at this time. Please try again later.
Download Molfile XML SDF
more structures >>
Formula C37H58N7O17P3S
Net Charge -4
Average Mass 997.88200
Monoisotopic Mass 997.28447
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/h6-9,24-26,30-32,36,47-48H,4-5,10-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b7-6-,9-8-/t26-,30-,31-,32+,36-/m1/s1
InChIKey BYTPWDGOFOHVBJ-KMDFORPKSA-J
SMILES CCC\C=C/C=C\CCCCCCCCC(=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
ChEBI Ontology
Outgoing (10E,12Z)-hexadecadienoyl-CoA(4−) (CHEBI:86122) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(10E,12Z)-hexadecadienoyl-CoA(4−) (CHEBI:86122) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(10E,12Z)-hexadecadienoyl-CoA(4−) (CHEBI:86122) is conjugate base of (10E,12Z)-hexadecadienoyl-CoA (CHEBI:86376)
Incoming (10E,12Z)-hexadecadienoyl-CoA (CHEBI:86376) is conjugate acid of (10E,12Z)-hexadecadienoyl-CoA(4−) (CHEBI:86122)
Synonyms Sources
(10E,12Z)-hexadeca-10,12-dienoyl-CoA(4−) ChEBI
(10E,12Z)-hexadeca-10,12-dienoyl-coenzyme A(4−) ChEBI
(10E,12Z)-hexadecadienoyl-CoA UniProt
(10E,12Z)-hexadecadienoyl-coenzyme A(4−) ChEBI
Manual Xref Database
CPD-16002 MetaCyc
View more database links
Last Modified
08 July 2015