CHEBI:62543 - 3-oxotetradecanoyl-CoA(4−)

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ChEBI Name 3-oxotetradecanoyl-CoA(4−)
ChEBI ID CHEBI:62543
ChEBI ASCII Name 3-oxotetradecanoyl-CoA(4-)
Definition Tetraanion of 3-oxotetradecanoyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C35H56N7O18P3S
Net Charge -4
Average Mass 987.84200
Monoisotopic Mass 987.262
InChI InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-22,24,28-30,34,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/t24-,28-,29-,30+,34-/m1/s1
InChIKey IQNFBGHLIVBNOU-QSGBVPJFSA-J
SMILES CCCCCCCCCCCC(=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-oxotetradecanoyl-CoA(4−) (CHEBI:62543) is a acyl-CoA oxoanion (CHEBI:58946)
3-oxotetradecanoyl-CoA(4−) (CHEBI:62543) is conjugate base of 3-oxotetradecanoyl-CoA (CHEBI:28726)
Incoming 3-oxotetradecanoyl-CoA (CHEBI:28726) is conjugate acid of 3-oxotetradecanoyl-CoA(4−) (CHEBI:62543)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxotetradecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
Synonyms Sources
3-oxo-myristoyl-CoA(4−) SUBMITTER
3-oxomyristoyl-CoA(4−) ChEBI
3-oxotetradecanoyl-CoA UniProt
Database Link Database
CPD-10284 MetaCyc
View more database links
Last Modified
02 August 2011