CHEBI:136881 - 3-carboxy-3-hydroxypropanoyl-CoA(5−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-carboxy-3-hydroxypropanoyl-CoA(5−)
ChEBI ID CHEBI:136881
ChEBI ASCII Name 3-carboxy-3-hydroxypropanoyl-CoA(5-)
Definition An ω-carboxyacyl-CoA(5−) obtained by deprotonation of the phosphate, diphosphate and carboxy groups of any 3-carboxy-3-hydroxypropanoyl-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 C25H35N7O20P3S
Net Charge -5
Average Mass 878.569
Monoisotopic Mass 878.08979
InChI InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/p-5/t12?,13-,17-,18-,19+,23-/m1/s1
InChIKey HJQWLHMLMCDAEL-ZZOHBYBWSA-I
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(C(=O)[O-])O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:136881) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:136881) is a monocarboxylic acid anion (CHEBI:35757)
3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:136881) is conjugate base of 3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:137700)
Incoming (3R)-3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:77427) is a 3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:136881)
(3S)-3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:57317) is a 3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:136881)
3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:137700) is conjugate acid of 3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:136881)
Synonyms Sources
3-carboxy-3-hydroxypropanoyl-CoA UniProt
3-malyl-CoA(5−) ChEBI
malyl-CoA(5−) SUBMITTER
Manual Xref Database
CPD-15846 MetaCyc
View more database links
Last Modified
26 February 2024