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all-cis-icosa-8,11,14-trienoyl-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_27979

An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of all-cis-icosa-8,11,14-trienoic acid.

Term info

Label

all-cis-icosa-8,11,14-trienoyl-CoA

Synonyms
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • all-cis-icosa-8,11,14-trienoyl-CoA
database cross reference
Subsets

3_STAR

IUPAC NAME
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} [ IUPAC ]

charge

0

formula

C41H68N7O17P3S

has alternative id

CHEBI:20806, CHEBI:2300

has obo namespace

chebi_ontology

has related synonym

8Z,11Z,14Z-icosatrienoyl-CoA, (8Z,11Z,14Z)-eicosatrienoyl-coenzyme A, 8,11,14-Eicosatrienoyl-CoA, all-cis-icosa-8,11,14-trienoyl-coenzyme A, CoA[20:3(8Z,11Z,14Z)], all-cis-eicosa-8,11,14-trienoyl-coenzyme A, 8,11,14-Icosatrienoyl-CoA, all-cis-eicosa-8,11,14-trienoyl-CoA, (8Z,11Z,14Z)-Icosatrienoyl-CoA, 8Z,11Z,14Z-eicosatrienoyl-CoA

id

CHEBI:27979

inchi

InChI=1S/C41H68N7O17P3S/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/h8-9,11-12,14-15,28-30,34-36,40,51-52H,4-7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1

inchikey

FJWJALRUNNZIBB-DDQUOPDJSA-N

mass

1056.00288

monoisotopicmass

1055.36053

smiles

CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=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