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

ChEBI IDCHEBI:86122
ChEBI Name(10E,12Z)-hexadecadienoyl-CoA(4−)
Stars
ASCII Name(10E,12Z)-hexadecadienoyl-CoA(4-)
DefinitionA 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.
Last Modified8 July 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC37H58N7O17P3S
Net Charge-4
Average Mass997.892
Monoisotopic Mass997.28447
SMILESCCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=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
InChIKeyBYTPWDGOFOHVBJ-KMDFORPKSA-J
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(10E,12Z)-hexadecadienoyl-CoA (CHEBI:86376) is conjugate acid of (10E,12Z)-hexadecadienoyl-CoA(4−) (CHEBI:86122)
Synonyms  Source
(10E,12Z)-hexadeca-10,12-dienoyl-CoA(4−)ChEBI
(10E,12Z)-hexadeca-10,12-dienoyl-coenzyme A(4−)ChEBI
(10E,12Z)-hexadecadienoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(10E,12Z)-hexadecadienoyl-CoAUniProt
Manual XrefsDatabases
CPD-16002MetaCyc