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CHEBI:193939 - Trans-2,3-dehydrododecanoyl-CoA

ChEBI IDCHEBI:193939
ChEBI NameTrans-2,3-dehydrododecanoyl-CoA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56N7O17P3S
Net Charge0
Average Mass947.832
Monoisotopic Mass947.26662
SMILESCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(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/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28?,32-/m1/s1
InChIKeyIRFYVBULXZMEDE-XCFIPPSPSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
Trans-2,3-dehydrododecanoyl-CoA (CHEBI:193939) is a unsaturated fatty acyl-CoA (CHEBI:51006)
IUPAC Name 
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-dodec-2-enethioate
Manual XrefsDatabases
4444196ChemSpider
HMDB0011689HMDB
LMFA07050378LIPID MAPS