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CHEBI:138654 - (R)-2-hydroxyhexadecanoyl-CoA(4−)

ChEBI IDCHEBI:138654
ChEBI Name(R)-2-hydroxyhexadecanoyl-CoA(4−)
Stars
ASCII Name(R)-2-hydroxyhexadecanoyl-CoA(4-)
DefinitionA long-chain fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (R)-2-hydroxyhexadecanoyl-CoA; major species at pH 7.3.
Last Modified9 January 2018
Submitternhn
DownloadsMolfile
FormulaC37H62N7O18P3S
Net Charge-4
Average Mass1017.923
Monoisotopic Mass1017.31068
SMILESCCCCCCCCCCCCCC[C@@H](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-UEMWZVKSSA-J
ChEBI Ontology
Outgoing Relation(s)
(R)-2-hydroxyhexadecanoyl-CoA(4−) (CHEBI:138654) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(R)-2-hydroxyhexadecanoyl-CoA(4−) (CHEBI:138654) is conjugate base of (R)-2-hydroxyhexadecanoyl-CoA (CHEBI:139375)
Incoming Relation(s)
(R)-2-hydroxyhexadecanoyl-CoA (CHEBI:139375) is conjugate acid of (R)-2-hydroxyhexadecanoyl-CoA(4−) (CHEBI:138654)
Synonyms  Source
(R)-2-hydroxyhexadecanoyl-coenzyme A(4−)ChEBI
(R)-2-hydroxypalmitoyl-coenzyme A(4−)ChEBI
(R)-2-hydroxypalmitoyl-CoA(4−)ChEBI
UniProt Name  Source
(2R)-hydroxyhexadecanoyl-CoAUniProt
Manual XrefsDatabases
CPD-14718MetaCyc
Citations