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CHEBI:165612 - 2E-Hexadecenoyl-CoA

ChEBI IDCHEBI:165612
ChEBI Name2E-Hexadecenoyl-CoA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H64N7O17P3S
Net Charge0
Average Mass1003.940
Monoisotopic Mass1003.32922
SMILESCCCCCCCCCCCCC/C=C/C(=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(O)[C@H]1OP(=O)(O)O
InChIInChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b17-16+/t26-,30?,31+,32+,36-/m1/s1
InChIKeyJUPAQFRKPHPXLD-MRQAMEQYSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2E-Hexadecenoyl-CoA (CHEBI:165612) is a 2-enoyl-CoA (CHEBI:19573)
2E-Hexadecenoyl-CoA (CHEBI:165612) is a long-chain fatty acyl-CoA (CHEBI:33184)
IUPAC Name 
S-[2-[3-[[(2R)-4-[[[(2R,3R,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)-hexadec-2-enethioate
Manual XrefsDatabases
17220844ChemSpider
LMFA07050020LIPID MAPS