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CHEBI:87119 - (R)-2-hydroxy-4-methylpentanoyl-CoA(4−)

ChEBI IDCHEBI:87119
ChEBI Name(R)-2-hydroxy-4-methylpentanoyl-CoA(4−)
Stars
ASCII Name(R)-2-hydroxy-4-methylpentanoyl-CoA(4-)
DefinitionA methyl-branched fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (R)-2-hydroxy-4-methylpentanoyl-CoA; major species at pH 7.3.
Last Modified8 November 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H42N7O18P3S
Net Charge-4
Average Mass877.653
Monoisotopic Mass877.15418
SMILESCC(C)C[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/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16-,19-,20-,21+,25-/m1/s1
InChIKeyCFNPCSNXESBNGR-LYALRYAQSA-J
ChEBI Ontology
Outgoing Relation(s)
(R)-2-hydroxy-4-methylpentanoyl-CoA(4−) (CHEBI:87119) is a 2-hydroxy-fatty acyl-CoA(4−) (CHEBI:157766)
(R)-2-hydroxy-4-methylpentanoyl-CoA(4−) (CHEBI:87119) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
(R)-2-hydroxy-4-methylpentanoyl-CoA(4−) (CHEBI:87119) is conjugate base of (R)-2-hydroxy-4-methylpentanoyl-CoA (CHEBI:87433)
Incoming Relation(s)
(R)-2-hydroxy-4-methylpentanoyl-CoA (CHEBI:87433) is conjugate acid of (R)-2-hydroxy-4-methylpentanoyl-CoA(4−) (CHEBI:87119)
Synonyms  Source
(2R)-2-hydroxy-4-methylpentanoyl-CoA(4−)ChEBI
(R)-2-hydroxy-4-methylpentanoyl-coenzyme A(4−)ChEBI
(2R)-2-hydroxy-4-methylpentanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(R)-2-hydroxy-4-methylpentanoyl-CoAUniProt
Manual XrefsDatabases
CPD-11652MetaCyc