CHEBI:77038 - (3S)-hydroxytetradecanedioyl-CoA(5−)

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ChEBI Name (3S)-hydroxytetradecanedioyl-CoA(5−)
ChEBI ID CHEBI:77038
ChEBI ASCII Name (3S)-hydroxytetradecanedioyl-CoA(5-)
Definition An acyl-CoA oxoanion that is the pentaanion of (S)-3-hydroxytetradecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C35H55N7O20P3S
Net Charge -5
Average Mass 1018.83500
Monoisotopic Mass 1018.24629
InChI InChI=1S/C35H60N7O20P3S/c1-35(2,30(49)33(50)38-14-13-24(44)37-15-16-66-26(47)17-22(43)11-9-7-5-3-4-6-8-10-12-25(45)46)19-59-65(56,57)62-64(54,55)58-18-23-29(61-63(51,52)53)28(48)34(60-23)42-21-41-27-31(36)39-20-40-32(27)42/h20-23,28-30,34,43,48-49H,3-19H2,1-2H3,(H,37,44)(H,38,50)(H,45,46)(H,54,55)(H,56,57)(H2,36,39,40)(H2,51,52,53)/p-5/t22-,23+,28+,29+,30-,34+/m0/s1
InChIKey FFGRDSVMHUQCLS-FPTUOSRSSA-I
SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCCCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing (3S)-hydroxytetradecanedioyl-CoA(5−) (CHEBI:77038) is a acyl-CoA oxoanion (CHEBI:58946)
(3S)-hydroxytetradecanedioyl-CoA(5−) (CHEBI:77038) is conjugate base of (3S)-hydroxytetradecanedioyl-CoA (CHEBI:77169)
Incoming (3S)-hydroxytetradecanedioyl-CoA (CHEBI:77169) is conjugate acid of (3S)-hydroxytetradecanedioyl-CoA(5−) (CHEBI:77038)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-13-carboxylato-3-hydroxytridecananoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(3S)-hydroxytetradecanedioyl-CoA UniProt
(3S)-hydroxytetradecanedioyl-coenzyme A(5−) ChEBI
(3S)-OH-C14:0-DCA-CoA(5−) SUBMITTER
Last Modified
03 February 2014