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CHEBI:77189 - (3R)-hydroxyhexadecanedioyl-CoA

ChEBI IDCHEBI:77189
ChEBI Name(3R)-hydroxyhexadecanedioyl-CoA
Stars
ASCII Name(3R)-hydroxyhexadecanedioyl-CoA
DefinitionAn (R)-3-hydroxyacyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (3R)-hydroxyhexadecanedioic acid.
Last Modified3 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC37H64N7O20P3S
Net Charge0
Average Mass1051.937
Monoisotopic Mass1051.31397
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)C[C@H](O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C37H64N7O20P3S/c1-37(2,32(51)35(52)40-16-15-26(46)39-17-18-68-28(49)19-24(45)13-11-9-7-5-3-4-6-8-10-12-14-27(47)48)21-61-67(58,59)64-66(56,57)60-20-25-31(63-65(53,54)55)30(50)36(62-25)44-23-43-29-33(38)41-22-42-34(29)44/h22-25,30-32,36,45,50-51H,3-21H2,1-2H3,(H,39,46)(H,40,52)(H,47,48)(H,56,57)(H,58,59)(H2,38,41,42)(H2,53,54,55)/t24-,25-,30-,31-,32+,36-/m1/s1
InChIKeyQNUDSTASHBDCFR-BCGNJVCZSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(3R)-hydroxyhexadecanedioyl-CoA (CHEBI:77189) has functional parent hexadecanedioic acid (CHEBI:73722)
(3R)-hydroxyhexadecanedioyl-CoA (CHEBI:77189) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456)
(3R)-hydroxyhexadecanedioyl-CoA (CHEBI:77189) is conjugate acid of (3R)-hydroxyhexadecanedioyl-CoA(5−) (CHEBI:77079)
Incoming Relation(s)
(3R)-hydroxyhexadecanedioyl-CoA(5−) (CHEBI:77079) is conjugate base of (3R)-hydroxyhexadecanedioyl-CoA (CHEBI:77189)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3R)-15-carboxy-3-hydroxypentadecananoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(3R)-hydroxyhexadecanedioyl-coenzyme AChEBI