CHEBI:62615 - 3-oxolauroyl-CoA(4−)

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ChEBI Name 3-oxolauroyl-CoA(4−)
ChEBI ID CHEBI:62615
ChEBI ASCII Name 3-oxolauroyl-CoA(4-)
Definition An acyl-CoA(4−) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxolauroyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C33H52N7O18P3S
Net Charge -4
Average Mass 959.78800
Monoisotopic Mass 959.23243
InChI InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t22-,26-,27-,28+,32-/m1/s1
InChIKey HQANBZHVWIDNQZ-GMHMEAMDSA-J
SMILES CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
ChEBI Ontology
Outgoing 3-oxolauroyl-CoA(4−) (CHEBI:62615) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-oxolauroyl-CoA(4−) (CHEBI:62615) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
3-oxolauroyl-CoA(4−) (CHEBI:62615) is conjugate base of 3-oxolauroyl-CoA (CHEBI:27868)
Incoming 3-oxolauroyl-CoA (CHEBI:27868) is conjugate acid of 3-oxolauroyl-CoA(4−) (CHEBI:62615)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxododecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
Synonyms Sources
3-oxododecanoyl-CoA UniProt
3-oxododecanoyl-CoA(4−) SUBMITTER
Manual Xref Database
CPD0-2105 MetaCyc
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Last Modified
31 March 2015