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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxy-3-methylundecanoyl-CoA(4−)
ChEBI ID CHEBI:138632
ChEBI ASCII Name 2-hydroxy-3-methylundecanoyl-CoA(4-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C33H54N7O18P3S
Net Charge -4
Average Mass 961.807
Monoisotopic Mass 961.24808
InChI InChI=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
InChIKey AJXYXFQWXBHSBR-GISZRNOTSA-J
SMILES C(C(CCCCCCCC)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-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 2-hydroxy-3-methylundecanoyl-CoA (CHEBI:139362) is conjugate acid of 2-hydroxy-3-methylundecanoyl-CoA(4−) (CHEBI:138632)
Synonyms Sources
2-hydroxy-3-methylundecanoyl-CoA UniProt
2-hydroxy-3-methylundecanoyl-coenzyme A(4−) ChEBI
Citation Waiting for Citations Type Source
12923223 PubMed citation SUBMITTER
Last Modified
08 November 2021