OntologiesslmclassesCHEBI:15492   
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3-oxopimeloyl-CoAImported
http://purl.obolibrary.org/obo/CHEBI_15492

The S-(3-oxopimeloyl) derivative of coenzyme A.

Defined bychebi
Also appears ingo
Exact Synonyms
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-Oxopimeloyl-CoA
Related Synonyms
3-Ketopimelyl-CoA
class Information
charge

0

formula

C28H44N7O20P3S

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C28H44N7O20P3S/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/h13-14,16,21-23,27,41-42H,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)/t16-,21-,22-,23+,27-/m1/s1

inchikey

KJXFOFKTZDJLMQ-UYRKPTJQSA-N

in_subset

3_STAR

mass

923.67142

monoisotopicmass

923.15747

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

class Relations