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CHEBI:138636 - 2-hydroxy-3-methyldodecanoyl-CoA(4−)

ChEBI IDCHEBI:138636
ChEBI Name2-hydroxy-3-methyldodecanoyl-CoA(4−)
Stars
ASCII Name2-hydroxy-3-methyldodecanoyl-CoA(4-)
DefinitionA medium chain fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxy-3-methyldodecanoyl-CoA; major species at pH 7.3.
Last Modified8 November 2021
Submitterlaimo
DownloadsMolfile
FormulaC34H56N7O18P3S
Net Charge-4
Average Mass975.842
Monoisotopic Mass975.26373
SMILESCCCCCCCCCC(C)C(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/C34H60N7O18P3S/c1-5-6-7-8-9-10-11-12-21(2)25(43)33(47)63-16-15-36-23(42)13-14-37-31(46)28(45)34(3,4)18-56-62(53,54)59-61(51,52)55-17-22-27(58-60(48,49)50)26(44)32(57-22)41-20-40-24-29(35)38-19-39-30(24)41/h19-22,25-28,32,43-45H,5-18H2,1-4H3,(H,36,42)(H,37,46)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/p-4/t21?,22-,25?,26-,27-,28+,32-/m1/s1
InChIKeyQVMHSWYPRSCCHY-ZVRLPPNOSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-methyldodecanoyl-CoA(4−) (CHEBI:138636) has functional parent 3-methyldodecanoyl-CoA(4−) (CHEBI:138637)
2-hydroxy-3-methyldodecanoyl-CoA(4−) (CHEBI:138636) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
2-hydroxy-3-methyldodecanoyl-CoA(4−) (CHEBI:138636) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
2-hydroxy-3-methyldodecanoyl-CoA(4−) (CHEBI:138636) is conjugate base of 2-hydroxy-3-methyldodecanoyl-CoA (CHEBI:139376)
Incoming Relation(s)
2-hydroxy-3-methyldodecanoyl-CoA (CHEBI:139376) is conjugate acid of 2-hydroxy-3-methyldodecanoyl-CoA(4−) (CHEBI:138636)
Synonyms  Source
2-hydroxy-3-methyllauroyl-CoA(4−)ChEBI
2-hydroxy-3-methyllauroyl-coenzyme A(4−)ChEBI
2-hydroxy-3-methyldodecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
2-hydroxy-3-methyldodecanoyl-CoAUniProt
Citations