EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85211 - 15-hydroxypentadecanoyl-CoA

ChEBI IDCHEBI:85211
ChEBI Name15-hydroxypentadecanoyl-CoA
Stars
DefinitionA hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 15-hydroxypentadecanoic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC36H64N7O18P3S
Net Charge0
Average Mass1007.928
Monoisotopic Mass1007.32414
SMILESCC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCO
InChIInChI=1S/C36H64N7O18P3S/c1-36(2,31(48)34(49)39-17-16-26(45)38-18-20-65-27(46)15-13-11-9-7-5-3-4-6-8-10-12-14-19-44)22-58-64(55,56)61-63(53,54)57-21-25-30(60-62(50,51)52)29(47)35(59-25)43-24-42-28-32(37)40-23-41-33(28)43/h23-25,29-31,35,44,47-48H,3-22H2,1-2H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/t25-,29-,30-,31+,35-/m1/s1
InChIKeyQFVWXEJCMKEMQT-VTINEICCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
15-hydroxypentadecanoyl-CoA (CHEBI:85211) has functional parent 15-hydroxypentadecanoic acid (CHEBI:79169)
15-hydroxypentadecanoyl-CoA (CHEBI:85211) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
15-hydroxypentadecanoyl-CoA (CHEBI:85211) is a long-chain fatty acyl-CoA (CHEBI:33184)
15-hydroxypentadecanoyl-CoA (CHEBI:85211) is a ω-hydroxy fatty acyl-CoA (CHEBI:85212)
15-hydroxypentadecanoyl-CoA (CHEBI:85211) is conjugate acid of 15-hydroxypentadecanoyl-CoA(4−) (CHEBI:84205)
Incoming Relation(s)
15-hydroxypentadecanoyl-CoA(4−) (CHEBI:84205) is conjugate base of 15-hydroxypentadecanoyl-CoA (CHEBI:85211)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(15-hydroxypentadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
ω-hydroxypentadecanoyl-coenzyme AChEBI
15-hydroxypentadecanoyl-coenzyme AChEBI
ω-hydroxypentadecanoyl-CoAChEBI