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

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ChEBI Name 2-hydroxydodecanoyl-CoA(4−) ChEBI ID CHEBI:138299 ChEBI ASCII Name 2-hydroxydodecanoyl-CoA(4-) Definition A fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxydodecanoyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Lucila Aimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H54N7O18P3S Net Charge -4 Average Mass 961.807 Monoisotopic Mass 961.24808 InChI InChI=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 InChIKey DGCUOCHMLBJZEF-NJLCRHPKSA-J SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(CCCCCCCCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O ChEBI Ontology Outgoing 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 2-hydroxydodecanoyl-CoA (CHEBI:139024) is conjugate acid of 2-hydroxydodecanoyl-CoA(4−) (CHEBI:138299) Synonyms Sources 2-hydroxydodecanoyl-CoA UniProt 2-hydroxylauroyl-CoA(4−) SUBMITTER Citation Type Source 12031666 PubMed citation SUBMITTER Last Modified 28 July 2021