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
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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-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
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-hydroxy-6-carboxyhexanoyl-CoA UniProt
Last Modified
15 January 2020