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12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_137112

An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoic acid.

Term info

Label

12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA

Synonyms
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(5Z,8Z,10E,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Subsets

3_STAR

IUPAC NAME
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(5Z,8Z,10E,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} [ IUPAC ]

charge

0

formula

C41H66N7O18P3S

has obo namespace

chebi_ontology

has related synonym

12-HETE-CoA, 12-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-CoA, (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoyl-CoA

id

CHEBI:137112

inchi

InChI=1S/C41H66N7O18P3S/c1-4-5-6-7-12-15-18-29(49)19-16-13-10-8-9-11-14-17-20-32(51)70-24-23-43-31(50)21-22-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h9-13,15-16,19,27-30,34-36,40,49,52-53H,4-8,14,17-18,20-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b11-9-,13-10-,15-12-,19-16+/t29?,30-,34-,35-,36+,40-/m1/s1

inchikey

YCBRDAYQJTVLNF-ZHCDMPKSSA-N

mass

1069.988

monoisotopicmass

1069.33979

smiles

C(=C/C(C/C=C\CCCCC)O)\C=C/C/C=C\CCCC(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O