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CHEBI:76444 - (S)-3-hydroxydecanedioyl-CoA

ChEBI IDCHEBI:76444
ChEBI Name(S)-3-hydroxydecanedioyl-CoA
Stars
ASCII Name(S)-3-hydroxydecanedioyl-CoA
DefinitionAn (S)-3-hydroxyacyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (S)-3-hydroxydodecanedioic acid.
Last Modified26 November 2013
SubmitterSteve
DownloadsMolfile
FormulaC31H52N7O20P3S
Net Charge0
Average Mass967.775
Monoisotopic Mass967.22007
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)CCCCCCC(=O)O
InChIInChI=1S/C31H52N7O20P3S/c1-31(2,26(45)29(46)34-10-9-20(40)33-11-12-62-22(43)13-18(39)7-5-3-4-6-8-21(41)42)15-55-61(52,53)58-60(50,51)54-14-19-25(57-59(47,48)49)24(44)30(56-19)38-17-37-23-27(32)35-16-36-28(23)38/h16-19,24-26,30,39,44-45H,3-15H2,1-2H3,(H,33,40)(H,34,46)(H,41,42)(H,50,51)(H,52,53)(H2,32,35,36)(H2,47,48,49)/t18-,19+,24+,25+,26-,30+/m0/s1
InChIKeyHYEKPXJYCGYZEG-BBJTXHABSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(S)-3-hydroxydecanedioyl-CoA (CHEBI:76444) is a (S)-3-hydroxyacyl-CoA (CHEBI:15455)
(S)-3-hydroxydecanedioyl-CoA (CHEBI:76444) is conjugate acid of (S)-3-hydroxydecanedioyl-CoA(5−) (CHEBI:76348)
Incoming Relation(s)
(S)-3-hydroxydecanedioyl-CoA(5−) (CHEBI:76348) is conjugate base of (S)-3-hydroxydecanedioyl-CoA (CHEBI:76444)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-9-carboxy-3-hydroxynonanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(S)-3-hydroxydecanedioyl-coenzyme AChEBI