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CHEBI:180814 - 10Z-heptadecenoyl-CoA

Default Structure
ChEBI IDCHEBI:180814
ChEBI Name10Z-heptadecenoyl-CoA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62N7O17P3S
Net Charge-4
Average Mass1013.935
Monoisotopic Mass1013.31577
SMILESCCCCCC/C=C\CCCCCCCCC(=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/C38H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h9-10,25-27,31-33,37,48-49H,4-8,11-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/b10-9-/t27-,31-,32-,33+,37-/m1/s1
InChIKeyKFMWWNZRDBMYES-YGUIASHKSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
10Z-heptadecenoyl-CoA (CHEBI:180814) is a long-chain fatty acyl-CoA (CHEBI:33184)
IUPAC Name 
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(Z)-heptadec-10-enoyl]sulanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
Manual XrefsDatabases
HMDB0062213HMDB