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3-oxodecanoyl-CoA

MNXM677 is deprecated and here replaced by MNXM1104685
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104685 Image of MNXM1104685
referencechebi:62548
formulaC31H48N7O18P3S
global charge-4
mol weight931.745
InChIKeyAZCVXMAPLHSIKY-HSJNEKGZSA-J
InChIInChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t20-,24-,25-,26+,30-/m1/s1
SMILESCCCCCCCC(=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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26+,30-/m1/s1 Image of MNXM1104685
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:19]([CH2:14][C:22](=[O:41])[S:60][CH2:13][CH2:12][N:33]=[C:21]([CH2:10][CH2:11][N:34]=[C:29]([C@@H:26]([C:31]([CH3:2])([CH3:3])[CH2:16][O:53][P:59]([OH:50])(=[O:51])[O:56][P:58]([OH:48])(=[O:49])[O:52][CH2:15][C@@H:20]1[C@@H:25]([O:55][P:57]([OH:45])([OH:46])=[O:47])[C@@H:24]([OH:42])[C@H:30]([N:38]2[CH:18]=[N:37][C:23]3=[C:27]([NH2:32])[N:35]=[CH:17][N:36]=[C:28]32)[O:54]1)[OH:43])[OH:44])[OH:40])=[O:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62548
chebi:62548
AZCVXMAPLHSIKY-HSJNEKGZSA-J 		3-oxodecanoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
3-oxodecanoyl-CoA(4-)

sabiork.compound:21032
sabiorkM:21032
AZCVXMAPLHSIKY-HSJNEKGZSA-N 		3-Ketodecanoyl-CoA

bigg.metabolite:3odcoa
biggM:3odcoa
sabiork.compound:2742
sabiorkM:2742
kegg.compound:C05265
keggC:C05265
AZCVXMAPLHSIKY-HSJNEKGZSA-J
AZCVXMAPLHSIKY-HSJNEKGZSA-N 		3-Oxodecanoyl-CoA

seed.compound:cpd03119
seedM:cpd03119
AZCVXMAPLHSIKY-HSJNEKGZSA-J 		3-Oxodecanoyl-CoA
3-oxodecanoyl-CoA
3odcoa

vmhM:3odcoa
vmhmetabolite:3odcoa
AZCVXMAPLHSIKY-HSJNEKGZSA-J 		3-Oxodecanoyl-CoA
{[(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-oxodecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphory

metacyc.compound:CPD0-2123
metacycM:CPD0-2123
SLM:000001028
slm:000001028
AZCVXMAPLHSIKY-HSJNEKGZSA-J 		3-oxodecanoyl-CoA

reactome:R-ALL-77339
reactomeM:R-ALL-77339
CHEBI:28528
chebi:28528
AZCVXMAPLHSIKY-HSJNEKGZSA-N 		3-oxodecanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3-Oxodecanoyl-CoA
3-ketodecanoyl-CoA
3-ketodecanoyl-coenzyme A
3-oxodecanoyl-coenzyme A

lipidmaps:LMFA07050239
lipidmapsM:LMFA07050239
AZCVXMAPLHSIKY-HSJNEKGZSA-N 		3-oxodecanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3-ketodecanoyl-CoA
3-ketodecanoyl-coenzyme A
3-oxodecanoyl-coenzyme A
CoA 10:1
O

chebi:1633
chebi:20166
biggM:M_3odcoa
keggC:M_C05265
seedM:M_cpd03119
vmhM:M_3odcoa 		secondary/obsolete/fantasy identifier