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CHEBI:138630 - 2-hydroxyhexanoyl-CoA(4−)

ChEBI IDCHEBI:138630
ChEBI Name2-hydroxyhexanoyl-CoA(4−)
Stars
ASCII Name2-hydroxyhexanoyl-CoA(4-)
DefinitionA medium chain fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyhexanoyl-CoA; major species at pH 7.3.
Last Modified8 January 2018
Submitterlaimo
DownloadsMolfile
FormulaC27H42N7O18P3S
Net Charge-4
Average Mass877.653
Monoisotopic Mass877.15418
SMILESCCCCC(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/c1-4-5-6-15(35)26(40)56-10-9-29-17(36)7-8-30-24(39)21(38)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-20(51-53(41,42)43)19(37)25(50-16)34-14-33-18-22(28)31-13-32-23(18)34/h13-16,19-21,25,35,37-38H,4-12H2,1-3H3,(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
InChIKeyFWPHMBHGUDAPRV-XGGCCDIMSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyhexanoyl-CoA(4−) (CHEBI:138630) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
2-hydroxyhexanoyl-CoA(4−) (CHEBI:138630) is conjugate base of 2-hydroxyhexanoyl-CoA (CHEBI:139304)
Incoming Relation(s)
2-hydroxyhexanoyl-CoA (CHEBI:139304) is conjugate acid of 2-hydroxyhexanoyl-CoA(4−) (CHEBI:138630)
Synonym  Source
2-hydroxycaproyl-CoA(4−)SUBMITTER
UniProt Name  Source
2-hydroxyhexanoyl-CoAUniProt