About: (3S)-citramalyl-CoA(5-)   Goto Sponge  NotDistinct  Permalink

An Entity of Type : owl:Class, within Data Space : terminologies.gfbio.org associated with source document(s)

AttributesValues
type
label
  • (3S)-citramalyl-CoA(5-)
subClassOf
definition
  • Pentaanion of (3S)-citramalyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
database_cross_reference
  • MetaCyc:CPD-627
has_exact_synonym
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxylato-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
has_obo_namespace
  • chebi_ontology
has_related_synonym
  • (3S)-citramalyl-CoA
id
  • CHEBI:58668
in_subset
obo:chebi/charge
  • -5
obo:chebi/formula
  • C26H37N7O20P3S
obo:chebi/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)/p-5/t13-,17-,18-,19+,23-,26+/m1/s1
obo:chebi/inchikey
  • XYGOWHUIVNMEIA-XBVYHAPZSA-I
obo:chebi/mass
  • 892.59300
obo:chebi/monoisotopicmass
  • 892.10544
obo:chebi/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
is someValuesFrom of
is annotatedSource of
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