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3-oxo-6-carboxyhexanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM2941

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₂₈H₃₉N₇O₂₀P₃S

charge

-5

mass

918.12109

reference

chebi:57350

InChIKey

KJXFOFKTZDJLMQ-UYRKPTJQSA-I

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)/p-5/t16-,21-,22-,23+,27-/m1/s1

SMILES

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57350 chebi:57350	3-oxo-6-carboxyhexanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxylato-3-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} 3-oxopimeloyl-CoA(5-)
envipath:...ae3154eb3c21 envipathM:...ae3154eb3c21	3-Ketopimelyl-CoA
seed.compound:cpd04104 seedM:cpd04104	3-Ketopimelyl-CoA 3-OXOPIMELOYL-COA 3-Oxopimeloyl-CoA 3-ketopimeloyl-CoA 3-ketopimelyl-CoA 3-oxopimeloyl-CoA 3-oxopimelyl-CoA
bigg.metabolite:3opimcoa biggM:3opimcoa	3-Oxopimeloyl-CoA
kegg.compound:C06715 keggC:C06715	3-Oxopimeloyl-CoA 3-Ketopimelyl-CoA
CHEBI:15492 chebi:15492	3-oxopimeloyl-CoA 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-Ketopimelyl-CoA 3-Oxopimeloyl-CoA
metacyc.compound:3-OXOPIMELOYL-COA metacycM:3-OXOPIMELOYL-COA	3-oxopimeloyl-CoA 3-ketopimeloyl-CoA 3-ketopimelyl-CoA 3-oxopimelyl-CoA
lipidmaps:LMFA07050251 lipidmapsM:LMFA07050251	3-oxopimeloyl-CoA 3-oxo-7-carboxy-heptanoyl-CoA CoA 7:2 O3
chebi:11876 chebi:1649 chebi:20098 chebi:20178 biggM:M_3opimcoa keggC:M_C06715 seedM:M_cpd04104	secondary/obsolete/fantasy identifier