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CHEBI:137593 - (2E,4Z)-deca-2,4-dienoyl-CoA(4−)

ChEBI IDCHEBI:137593
ChEBI Name(2E,4Z)-deca-2,4-dienoyl-CoA(4−)
Stars
ASCII Name(2E,4Z)-deca-2,4-dienoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate functions of (2E,4Z)-deca-2,4-dienoyl-CoA; major species at pH 7.3.
Last Modified17 August 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC31H46N7O17P3S
Net Charge-4
Average Mass913.730
Monoisotopic Mass913.19057
SMILESCCCCC/C=C\C=C\C(=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/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8-,11-10+/t20-,24-,25-,26+,30-/m1/s1
InChIKeyFASAKYLWSRDQOH-IMVFQKDNSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E,4Z)-deca-2,4-dienoyl-CoA(4−) (CHEBI:137593) is a (2E,4Z)-dienoyl-CoA(4−) (CHEBI:85099)
(2E,4Z)-deca-2,4-dienoyl-CoA(4−) (CHEBI:137593) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
(2E,4Z)-deca-2,4-dienoyl-CoA(4−) (CHEBI:137593) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(2E,4Z)-deca-2,4-dienoyl-CoA(4−) (CHEBI:137593) is conjugate base of (2E,4Z)-deca-2,4-dienoyl-CoA (CHEBI:29119)
Incoming Relation(s)
(2E,4Z)-deca-2,4-dienoyl-CoA (CHEBI:29119) is conjugate acid of (2E,4Z)-deca-2,4-dienoyl-CoA(4−) (CHEBI:137593)
UniProt Name  Source
(2E,4Z)-decadienoyl-CoAUniProt
Manual XrefsDatabases
CPD-15654MetaCyc
Citations