CHEBI:36882 - (3S)-citramalyl-CoA

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ChEBI Name (3S)-citramalyl-CoA
ChEBI ID CHEBI:36882
ChEBI ASCII Name (3S)-citramalyl-CoA
Definition The (3S)-diastereomer of citramalyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10890, CHEBI:215, CHEBI:18571
Supplier Information
Download Molfile XML SDF
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-XBVYHAPZSA-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)C[C@](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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (3S)-citramalyl-CoA (CHEBI:36882) has functional parent L-citramalic acid (CHEBI:29003)
(3S)-citramalyl-CoA (CHEBI:36882) is a citramalyl-CoA (CHEBI:15457)
(3S)-citramalyl-CoA (CHEBI:36882) is conjugate acid of (3S)-citramalyl-CoA(5−) (CHEBI:58668)
Incoming (3S)-citramalyl-CoA(5−) (CHEBI:58668) is conjugate base of (3S)-citramalyl-CoA (CHEBI:36882)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxy-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(3S)-Citramalyl-CoA KEGG COMPOUND
L-Citramalyl-CoA KEGG COMPOUND
Manual Xrefs Databases
C01011 KEGG COMPOUND
CPD-627 MetaCyc
HMDB0006345 HMDB
View more database links
Last Modified
04 August 2014