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CHEBI:57322 - trans-tetradec-11-enoyl-CoA(4−)

ChEBI IDCHEBI:57322
ChEBI Nametrans-tetradec-11-enoyl-CoA(4−)
Stars
ASCII Nametrans-tetradec-11-enoyl-CoA(4-)
DefinitionTetraanion of trans-tetradec-11-enoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Last Modified23 February 2015
DownloadsMolfile
FormulaC35H56N7O17P3S
Net Charge-4
Average Mass971.854
Monoisotopic Mass971.26882
SMILESCC/C=C/CCCCCCCCCC(=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/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h5-6,22-24,28-30,34,45-46H,4,7-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b6-5+/t24-,28-,29-,30+,34-/m1/s1
InChIKeyWFGNMSCJASVFQK-XNKJMYHLSA-J
ChEBI Ontology
Outgoing Relation(s)
trans-tetradec-11-enoyl-CoA(4−) (CHEBI:57322) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
trans-tetradec-11-enoyl-CoA(4−) (CHEBI:57322) is conjugate base of trans-tetradec-11-enoyl-CoA (CHEBI:15460)
Incoming Relation(s)
trans-tetradec-11-enoyl-CoA (CHEBI:15460) is conjugate acid of trans-tetradec-11-enoyl-CoA(4−) (CHEBI:57322)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(11E)-tetradec-11-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] diphosphate}
UniProt Name  Source
(11E)-tetradecenoyl-CoAUniProt