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3-oxohexanoyl-CoA

Image of MNXM717
Properties
MNX_IDMNXM717
formulaC27H40N7O18P3S
charge-4
mass875.631
referencechebi:62418
InChIKeyNFOYYXQAVVYWKV-HDRQGHTBSA-J
InChIInChI=1S/C27H44N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-14,16,20-22,26,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t16-,20-,21-,22+,26-/m1/s1
SMILESCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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

This chemical compound does not exist in my selection



Occurrences of 3-oxohexanoyl-CoA in the MetaNetX repository

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Similar chemical compounds in external resources
IdentifierDescription
bigg:3ohcoa
reactome:77320
3-Oxohexanoyl-CoA
chebi:1641
chebi:20172
chebi:27648
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3-Ketohexanoyl-CoA
3-Ketohexanoyl-coenzyme A
3-Oxohexanoyl-CoA
3-oxohexanoyl-CoA
3-oxohexanoyl-coenzyme A
Coenzyme A, S-(3-oxohexanoate)
NFOYYXQAVVYWKV-HDRQGHTBSA-N
adenosine 3'-phosphoric acid 5'-[diphosphoric acid P(2)-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
chebi:62418 3-Oxohexanoyl-CoA
3-oxohexanoyl-CoA
3-oxohexanoyl-CoA(4-)
K-hexanoyl-CoA
K-hexanoyl-CoA (4-)
NFOYYXQAVVYWKV-HDRQGHTBSA-J
ketohexanoyl-CoA (4-)
ketohexanoyl-coenzyme-A
hmdb:HMDB03943 3-Oxohexanoyl-CoA
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxohexanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxohexanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
hmdb:HMDB62372 (2R)-4-({[({[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(3-oxohexanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
(2R)-4-[({[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethyl-N-[2-({2-[(3-oxohexanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
3-oxo-hexanoyl-CoA
kegg:C05269
sabiork:2746
3-Ketohexanoyl-CoA
3-Oxohexanoyl-CoA
lipidmaps:LMFA07050018 3-Oxohexanoyl-CoA
3-oxo-hexanoyl-CoA
lipidmaps:LMFA07050018
lipidmaps:LMFA07050242 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3-Ketohexanoyl-coenzyme A
3-Oxohexanoyl-CoA
3-oxohexanoyl-coenzyme A
Coenzyme A, S-(3-oxohexanoate)
adenosine 3'-phosphoric acid 5'-[diphosphoric acid P(2)-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
lipidmaps:LMFA07050242
metacyc:K-HEXANOYL-COA 3-ketohexanoyl-CoA
3-oxohexanoyl-CoA
K-HEXANOYL-COA
beta-hexanoyl-CoA
ketohexanoyl-CoA
ketohexanoyl-coenzyme-A
seed:cpd03123 3-Ketohexanoyl-CoA
3-Oxohexanoyl-CoA
3ohcoa
slm:000001031 3-oxohexanoyl-CoA
deprecated:MNXM23588
deprecated:MNXM89977
deprecated:MNXM91094
deprecated:MNXM97405