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3-Oxo-5,6-dehydrosuberyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM735195Image of MNXM735195
#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 2
formulaC29H44N7O20P3S
charge0
mass935.15747
referencekeggC:C19945
InChIKeyIFFFDKYRRUVOFP-KIOIQADTSA-N
InChIInChI=1S/C29H44N7O20P3S/c1-29(2,24(43)27(44)32-8-7-18(38)31-9-10-60-20(41)11-16(37)5-3-4-6-19(39)40)13-53-59(50,51)56-58(48,49)52-12-17-23(55-57(45,46)47)22(42)28(54-17)36-15-35-21-25(30)33-14-34-26(21)36/h3-4,14-15,17,22-24,28,42-43H,5-13H2,1-2H3,(H,31,38)(H,32,44)(H,39,40)(H,48,49)(H,50,51)(H2,30,33,34)(H2,45,46,47)/b4-3-/t17-,22-,23-,24+,28-/m1/s1
SMILESCC(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)C/C=C\CC(=O)O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
kegg.compound:C19945
keggC:C19945 		3-Oxo-5,6-dehydrosuberyl-CoA
3-Oxo-5,6-didehydrosuberoyl-CoA
seed.compound:cpd21184
seedM:cpd21184 		3-Oxo-5,6-dehydrosuberyl-CoA
(5Z)-7-carboxy-3-oxohept-5-enoyl-CoA
3-oxo-5,6-dehydrosuberyl-CoA
3-oxo-5,6-didehydrosuberyl-CoA
CHEBI:63253
chebi:63253 		3-oxo-5,6-dehydrosuberyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-oxo-5,6-dehydro-7-carboxyheptanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
metacyc.compound:CPD0-2364
metacycM:CPD0-2364 		3-oxo-5,6-didehydrosuberyl-CoA
(5Z)-7-carboxy-3-oxohept-5-enoyl-CoA
CHEBI:63255
chebi:63255 		3-oxo-5,6-didehydrosuberyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-oxo-5,6-dehydro-7-carboxylatoheptanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
3-oxo-5,6-dehydrosuberyl-CoA pentaanion
3-oxo-5,6-dehydrosuberyl-CoA(5-)
lipidmaps:LMFA07050236
lipidmapsM:LMFA07050236 		3-oxo-8-carboxy-5-octenoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-oxo-5,6-dehydro-7-carboxyheptanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-oxo-5,6-dehydrosuberyl-CoA
CoA 8:3
O3
keggC:M_C19945
seedM:M_cpd21184 		secondary/obsolete/fantasy identifier