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CHEBI:138299 - 2-hydroxydodecanoyl-CoA(4−)

ChEBI IDCHEBI:138299
ChEBI Name2-hydroxydodecanoyl-CoA(4−)
Stars
ASCII Name2-hydroxydodecanoyl-CoA(4-)
DefinitionA fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxydodecanoyl-CoA; major species at pH 7.3.
Last Modified28 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC33H54N7O18P3S
Net Charge-4
Average Mass961.815
Monoisotopic Mass961.24808
SMILESCCCCCCCCCCC(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/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-21(41)32(46)62-16-15-35-23(42)13-14-36-30(45)27(44)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-26(57-59(47,48)49)25(43)31(56-22)40-20-39-24-28(34)37-19-38-29(24)40/h19-22,25-27,31,41,43-44H,4-18H2,1-3H3,(H,35,42)(H,36,45)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t21?,22-,25-,26-,27+,31-/m1/s1
InChIKeyDGCUOCHMLBJZEF-NJLCRHPKSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxydodecanoyl-CoA(4−) (CHEBI:138299) has functional parent lauroyl-CoA(4−) (CHEBI:57375)
2-hydroxydodecanoyl-CoA(4−) (CHEBI:138299) is a 2-hydroxy-fatty acyl-CoA(4−) (CHEBI:157766)
2-hydroxydodecanoyl-CoA(4−) (CHEBI:138299) is a fatty acyl-CoA(4−) (CHEBI:77636)
2-hydroxydodecanoyl-CoA(4−) (CHEBI:138299) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
2-hydroxydodecanoyl-CoA(4−) (CHEBI:138299) is conjugate base of 2-hydroxydodecanoyl-CoA (CHEBI:139024)
Incoming Relation(s)
2-hydroxydodecanoyl-CoA (CHEBI:139024) is conjugate acid of 2-hydroxydodecanoyl-CoA(4−) (CHEBI:138299)
Synonym  Source
2-hydroxylauroyl-CoA(4−)SUBMITTER
UniProt Name  Source
2-hydroxydodecanoyl-CoAUniProt
Citations