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CHEBI:231937 - 4-phosphohexanoyl-CoA(6−)

ChEBI IDCHEBI:231937
ChEBI Name4-phosphohexanoyl-CoA(6−)
Stars
ASCII Name4-phosphohexanoyl-CoA(6-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H41N7O21P4S
Net Charge-6
Average Mass955.616
Monoisotopic Mass955.10596
SMILESCCC(CCC(=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-])OP(=O)([O-])[O-]
InChIInChI=1S/C27H47N7O21P4S/c1-4-15(53-56(40,41)42)5-6-18(36)60-10-9-29-17(35)7-8-30-25(39)22(38)27(2,3)12-51-59(48,49)55-58(46,47)50-11-16-21(54-57(43,44)45)20(37)26(52-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,37-38H,4-12H2,1-3H3,(H,29,35)(H,30,39)(H,46,47)(H,48,49)(H2,28,31,32)(H2,40,41,42)(H2,43,44,45)/p-6/t15?,16-,20-,21-,22+,26-/m1/s1
InChIKeyNYOFTPVAIDVRQB-SNIDVWGTSA-H
ChEBI Ontology
Outgoing Relation(s)
4-phosphohexanoyl-CoA(6−) (CHEBI:231937) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
Synonym  Source
4-P-OH-C6-CoASUBMITTER
UniProt Name  Source
4-phosphohexanoyl-CoAUniProt
Citations