CHEBI:57343 - 3-hydroxypimeloyl-CoA(5−)

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ChEBI Name 3-hydroxypimeloyl-CoA(5−)
ChEBI ID CHEBI:57343
ChEBI ASCII Name 3-hydroxypimeloyl-CoA(5-)
Definition Pentaanion of 3-hydroxypimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H41N7O20P3S
Net Charge -5
Average Mass 920.64600
Monoisotopic Mass 920.13674
InChI InChI=1S/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,36,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/p-5/t15?,16-,21-,22-,23+,27-/m1/s1
InChIKey VGEBXBQECGWCRH-JXUSAFQPSA-I
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(O)CCCC([O-])=O
ChEBI Ontology
Outgoing 3-hydroxypimeloyl-CoA(5−) (CHEBI:57343) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
3-hydroxypimeloyl-CoA(5−) (CHEBI:57343) is conjugate base of 3-hydroxypimeloyl-CoA (CHEBI:15485)
Incoming 3-hydroxypimeloyl-CoA (CHEBI:15485) is conjugate acid of 3-hydroxypimeloyl-CoA(5−) (CHEBI:57343)
Synonyms Sources
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxylato-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} ChEBI
3-hydroxypimeloyl-CoA UniProt
Last Modified
02 February 2017