CHEBI:137700 - 3-carboxy-3-hydroxypropanoyl-CoA

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ChEBI Name 3-carboxy-3-hydroxypropanoyl-CoA
ChEBI ID CHEBI:137700
Definition A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 3-carboxy group of 3-carboxy-3-hydroxypropanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H40N7O20P3S
Net Charge 0
Average Mass 883.608
Monoisotopic Mass 883.12617
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)/t12?,13-,17-,18-,19+,23-/m1/s1
InChIKey HJQWLHMLMCDAEL-ZZOHBYBWSA-N
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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:137700) has functional parent malic acid (CHEBI:6650)
3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:137700) is a ω-carboxyacyl-CoA (CHEBI:37555)
3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:137700) is a 3-hydroxyacyl-CoA (CHEBI:65260)
3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:137700) is conjugate acid of 3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:136881)
Incoming 3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:136881) is conjugate base of 3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:137700)
Synonyms Sources
3-malyl-CoA ChEBI
malyl-CoA ChEBI
Malyl-coenzyme A ChemIDplus
Manual Xref Database
CPD-15846 MetaCyc
View more database links
Registry Number Type Source
2043-93-8 CAS Registry Number ChemIDplus
Last Modified
07 July 2017