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(11Z,14Z)-icosadienoyl-CoA(4-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_76410

A polyunsaturated fatty acyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (11Z,14Z)-icosadienoyl-CoA; major species at pH 7.3.

Term info

Label

(11Z,14Z)-icosadienoyl-CoA(4-)

Synonyms
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(11Z,14Z)-icosa-11,14-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Subsets

3_STAR

IUPAC NAME
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(11Z,14Z)-icosa-11,14-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} [ IUPAC ]

charge

-4

formula

C41H66N7O17P3S

has obo namespace

chebi_ontology

has related synonym

(11Z,14Z)-eicosadienoyl-coenzyme A(4-), C20:2(omega-6)-CoA(4-), (11Z,14Z)-eicosadienoyl-CoA(4-), (11Z,14Z)-eicosadienoyl-CoA, (11Z,14Z)-icosadienoyl-coenzyme A(4-)

id

CHEBI:76410

inchi

InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,28-30,34-36,40,51-52H,4-7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-/t30-,34-,35-,36+,40-/m1/s1

inchikey

YCKYOUVXZZJCIU-YGYQDCEASA-J

mass

1053.98600

monoisotopicmass

1053.34707

smiles

CCCCC\C=C/C\C=C/CCCCCCCCCC(=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