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CHEBI:74309 - pentadecanoyl-CoA(4−)

ChEBI IDCHEBI:74309
ChEBI Namepentadecanoyl-CoA(4−)
Stars
ASCII Namepentadecanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of pentadecanoyl-CoA.
Last Modified28 October 2014
Submitterabridge
DownloadsMolfile
FormulaC36H60N7O17P3S
Net Charge-4
Average Mass987.897
Monoisotopic Mass987.30012
SMILESCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]
InChIInChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h23-25,29-31,35,46-47H,4-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/t25-,29-,30-,31+,35-/m1/s1
InChIKeyVLBCUOVMSMAIJC-VTINEICCSA-J
ChEBI Ontology
Outgoing Relation(s)
pentadecanoyl-CoA(4−) (CHEBI:74309) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
pentadecanoyl-CoA(4−) (CHEBI:74309) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
pentadecanoyl-CoA(4−) (CHEBI:74309) is conjugate base of pentadecanoyl-CoA (CHEBI:74574)
Incoming Relation(s)
pentadecanoyl-CoA (CHEBI:74574) is conjugate acid of pentadecanoyl-CoA(4−) (CHEBI:74309)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate)
Synonym  Source
pentadecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
pentadecanoyl-CoAUniProt
Manual XrefsDatabases
CPD-14724MetaCyc