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CHEBI:137112 - 12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA

ChEBI IDCHEBI:137112
ChEBI Name12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA
Stars
ASCII Name12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA
DefinitionAn 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.
Last Modified22 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC41H66N7O18P3S
Net Charge0
Average Mass1069.999
Monoisotopic Mass1069.33979
SMILESCCCCC/C=C\CC(O)/C=C/C=C\C/C=C\CCCC(=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/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
InChIKeyYCBRDAYQJTVLNF-ZHCDMPKSSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA (CHEBI:137112) has functional parent (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447)
12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA (CHEBI:137112) is a hydroxy fatty acyl-CoA (CHEBI:61902)
12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA (CHEBI:137112) is a long-chain fatty acyl-CoA (CHEBI:33184)
12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA (CHEBI:137112) is a unsaturated fatty acyl-CoA (CHEBI:51006)
12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA (CHEBI:137112) is conjugate acid of 12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA(4−) (CHEBI:136408)
Incoming Relation(s)
12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA(4−) (CHEBI:136408) is conjugate base of 12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA (CHEBI:137112)
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}
Synonyms  Source
12-HETE-CoAChEBI
(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoyl-CoAChEBI
12-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-CoAChEBI