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CHEBI:180733 - Palmitelaidoyl-CoA

ChEBI IDCHEBI:180733
ChEBI NamePalmitelaidoyl-CoA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H64N7O17P3S
Net Charge0
Average Mass1003.940
Monoisotopic Mass1003.32922
SMILESCCCCCC/C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=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/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9+
InChIKeyQBYOCCWNZAOZTL-MDZDMXLPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
Palmitelaidoyl-CoA (CHEBI:180733) is a long-chain fatty acyl-CoA (CHEBI:33184)
IUPAC Name 
S-[2-[3-[[4-[[[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-9-enethioate
Manual XrefsDatabases
21171659ChemSpider
HMDB0004149HMDB