CHEBI:87717 - (2E,7Z)-hexadecadienoyl-CoA(4−)

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ChEBI Name (2E,7Z)-hexadecadienoyl-CoA(4−)
ChEBI ID CHEBI:87717
ChEBI ASCII Name (2E,7Z)-hexadecadienoyl-CoA(4-)
Definition A polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of phosphate and diphosphate OH groups of (2E,7Z)-tetradecadienoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C37H58N7O17P3S
Net Charge -4
Average Mass 997.882
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/h11-12,16-17,24-26,30-32,36,47-48H,4-10,13-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b12-11-,17-16+/t26-,30-,31-,32+,36-/m1/s1
InChIKey YQARRKBGBKPBCX-DVZFGLDUSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)/C=C/CCC/C=C\CCCCCCCC)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (2E,7Z)-hexadecadienoyl-CoA(4−) (CHEBI:87717) is a 4,5-saturated-trans-2-enoyl-CoA(4−) (CHEBI:85100)
(2E,7Z)-hexadecadienoyl-CoA(4−) (CHEBI:87717) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(2E,7Z)-hexadecadienoyl-CoA(4−) (CHEBI:87717) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(2E,7Z)-hexadecadienoyl-CoA(4−) (CHEBI:87717) is conjugate base of (2E,7Z)-hexadecadienoyl-CoA (CHEBI:88086)
Incoming (2E,7Z)-hexadecadienoyl-CoA (CHEBI:88086) is conjugate acid of (2E,7Z)-hexadecadienoyl-CoA(4−) (CHEBI:87717)
Synonyms Sources
(2E,7Z)-hexadecadienoyl-CoA UniProt
(2E,7Z)-hexadecadienoyl-coenzyme A(4−) ChEBI
trans,cis-2,7-hexadecadienoyl-CoA(4−) SUBMITTER
trans,cis-2,7-hexadecadienoyl-coenzyme A(4−) ChEBI
Last Modified
01 October 2015