CHEBI:15457 - citramalyl-CoA

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ChEBI Name citramalyl-CoA
ChEBI ID CHEBI:15457
Definition An acyl-CoA having citramalyl as the S-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3726, CHEBI:23320, CHEBI:13998, CHEBI:15458
Supplier Information
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Formula C26H42N7O20P3S
Net Charge 0
Average Mass 897.63414
Monoisotopic Mass 897.14182
InChI InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19+,23-,26?/m1/s1
InChIKey XYGOWHUIVNMEIA-NOUMMWROSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(C)(O)C(O)=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
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ChEBI Ontology
Outgoing citramalyl-CoA (CHEBI:15457) has functional parent coenzyme A (CHEBI:15346)
citramalyl-CoA (CHEBI:15457) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
citramalyl-CoA (CHEBI:15457) is conjugate acid of citramalyl-CoA(5−) (CHEBI:57320)
Incoming (3R)-citramalyl-CoA (CHEBI:75860) is a citramalyl-CoA (CHEBI:15457)
(3S)-citramalyl-CoA (CHEBI:36882) is a citramalyl-CoA (CHEBI:15457)
citramalyl-CoA(5−) (CHEBI:57320) is conjugate base of citramalyl-CoA (CHEBI:15457)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxy-3-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym Source
Citramalyl-CoA KEGG COMPOUND
Manual Xref Database
C00904 KEGG COMPOUND
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Last Modified
04 August 2014