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CHEBI:74115 - 2-hydroxypalmitoyl-CoA(4−)

ChEBI IDCHEBI:74115
ChEBI Name2-hydroxypalmitoyl-CoA(4−)
Stars
ASCII Name2-hydroxypalmitoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxypalmitoyl-CoA.
Last Modified28 October 2014
Submitterlaimo
DownloadsMolfile
FormulaC37H62N7O18P3S
Net Charge-4
Average Mass1017.923
Monoisotopic Mass1017.31068
SMILESCCCCCCCCCCCCCCC(O)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@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25(45)36(50)66-20-19-39-27(46)17-18-40-34(49)31(48)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-30(61-63(51,52)53)29(47)35(60-26)44-24-43-28-32(38)41-23-42-33(28)44/h23-26,29-31,35,45,47-48H,4-22H2,1-3H3,(H,39,46)(H,40,49)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t25?,26-,29-,30-,31+,35-/m1/s1
InChIKeyKCYAHSOGWAZYJF-QGGHQSAPSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxypalmitoyl-CoA(4−) (CHEBI:74115) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
2-hydroxypalmitoyl-CoA(4−) (CHEBI:74115) is conjugate base of 2-hydroxyhexadecanoyl-CoA (CHEBI:74137)
Incoming Relation(s)
2-hydroxyhexadecanoyl-CoA (CHEBI:74137) is conjugate acid of 2-hydroxypalmitoyl-CoA(4−) (CHEBI:74115)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
2-OH-palmitoyl-CoA(4−)SUBMITTER
2-hydroxypalmitoyl-coenzyme A(4−)SUBMITTER
2-OH-C16:0-CoA(4−)SUBMITTER
2-hydroxy-C16:0-CoA(4−)SUBMITTER
2-hydroxyhexadecanoyl-coenzyme A(4−)ChEBI
2-hydroxyhexadecanoyl-CoA(4−)ChEBI
UniProt Name  Source
2-hydroxyhexadecanoyl-CoAUniProt