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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-hydroxy-3-methyldodecanoyl-CoA(4−) ChEBI ID CHEBI:138636 ChEBI ASCII Name 2-hydroxy-3-methyldodecanoyl-CoA(4-) Definition A 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. 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 C34H56N7O18P3S Net Charge -4 Average Mass 975.833 Monoisotopic Mass 975.26373 InChI InChI=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 InChIKey QVMHSWYPRSCCHY-ZVRLPPNOSA-J SMILES C(C(CCCCCCCCC)C)(C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O ChEBI Ontology Outgoing 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 2-hydroxy-3-methyldodecanoyl-CoA (CHEBI:139376) is conjugate acid of 2-hydroxy-3-methyldodecanoyl-CoA(4−) (CHEBI:138636) Synonyms Sources 2-hydroxy-3-methyldodecanoyl-CoA UniProt 2-hydroxy-3-methyldodecanoyl-coenzyme A(4−) ChEBI 2-hydroxy-3-methyllauroyl-CoA(4−) ChEBI 2-hydroxy-3-methyllauroyl-coenzyme A(4−) ChEBI Citation Type Source 12923223 PubMed citation SUBMITTER Last Modified 08 November 2021