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CHEBI:27855 - L-erythro-3-methylmalyl-CoA

Default Structure
ChEBI IDCHEBI:27855
ChEBI NameL-erythro-3-methylmalyl-CoA
Stars
ASCII NameL-erythro-3-methylmalyl-CoA
DefinitionA hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of L-erythro-3-methylmalic acid.
Secondary ChEBI IDsCHEBI:6330, CHEBI:21284
Last Modified3 August 2014
DownloadsMolfile
FormulaC26H42N7O20P3S
Net Charge0
Average Mass897.640
Monoisotopic Mass897.14182
SMILESC[C@H](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)[C@@H](O)C(=O)O
InChIInChI=1S/C26H42N7O20P3S/c1-12(16(35)24(39)40)25(41)57-7-6-28-14(34)4-5-29-22(38)19(37)26(2,3)9-50-56(47,48)53-55(45,46)49-8-13-18(52-54(42,43)44)17(36)23(51-13)33-11-32-15-20(27)30-10-31-21(15)33/h10-13,16-19,23,35-37H,4-9H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t12-,13+,16+,17+,18+,19-,23+/m0/s1
InChIKeyOTENCPQKSBPYCM-IGVLTWCCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
L-erythro-3-methylmalyl-CoA (CHEBI:27855) is a hydroxyacyl-CoA (CHEBI:62618)
L-erythro-3-methylmalyl-CoA (CHEBI:27855) is conjugate acid of L-erythro-3-methylmalyl-CoA(5−) (CHEBI:75634)
Incoming Relation(s)
L-erythro-3-methylmalyl-CoA(5−) (CHEBI:75634) is conjugate base of L-erythro-3-methylmalyl-CoA (CHEBI:27855)
Synonyms  Source
beta-Methylmalyl-CoAKEGG COMPOUND
L-erythro-3-methylmalyl-coenzyme AChEBI
Citations