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CHEBI:138632 - 2-hydroxy-3-methylundecanoyl-CoA(4−)

ChEBI IDCHEBI:138632
ChEBI Name2-hydroxy-3-methylundecanoyl-CoA(4−)
Stars
ASCII Name2-hydroxy-3-methylundecanoyl-CoA(4-)
DefinitionA medium chain fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxy-3-methylundecanoyl-CoA; major species at pH 7.3.
Last Modified8 November 2021
Submitterlaimo
DownloadsMolfile
FormulaC33H54N7O18P3S
Net Charge-4
Average Mass961.815
Monoisotopic Mass961.24808
SMILESCCCCCCCCC(C)C(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/c1-5-6-7-8-9-10-11-20(2)24(42)32(46)62-15-14-35-22(41)12-13-36-30(45)27(44)33(3,4)17-55-61(52,53)58-60(50,51)54-16-21-26(57-59(47,48)49)25(43)31(56-21)40-19-39-23-28(34)37-18-38-29(23)40/h18-21,24-27,31,42-44H,5-17H2,1-4H3,(H,35,41)(H,36,45)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t20?,21-,24?,25-,26-,27+,31-/m1/s1
InChIKeyAJXYXFQWXBHSBR-GISZRNOTSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-methylundecanoyl-CoA(4−) (CHEBI:138632) has functional parent 3-methylundecanoyl-CoA(4−) (CHEBI:84183)
2-hydroxy-3-methylundecanoyl-CoA(4−) (CHEBI:138632) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
2-hydroxy-3-methylundecanoyl-CoA(4−) (CHEBI:138632) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
2-hydroxy-3-methylundecanoyl-CoA(4−) (CHEBI:138632) is conjugate base of 2-hydroxy-3-methylundecanoyl-CoA (CHEBI:139362)
Incoming Relation(s)
2-hydroxy-3-methylundecanoyl-CoA (CHEBI:139362) is conjugate acid of 2-hydroxy-3-methylundecanoyl-CoA(4−) (CHEBI:138632)
Synonym  Source
2-hydroxy-3-methylundecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
2-hydroxy-3-methylundecanoyl-CoAUniProt
Citations