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3-oxo-5,6-didehydrosuberyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1377490Image of MNXM1377490
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 4
formulaC29H39N7O20P3S
charge-5
mass930.639
referencechebi:63255
InChIKeyIFFFDKYRRUVOFP-NOQDIWQESA-I
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)/p-5/t17-,22-,23-,24+,28-/m1/s1
SMILES[CH3:1][C:29]([CH3:2])([CH2:13][O:53][P:59]([OH:50])(=[O:51])[O:56][P:58]([OH:48])(=[O:49])[O:52][CH2:12][C@@H:17]1[C@@H:23]([O:55][P:57]([OH:45])([OH:46])=[O:47])[C@@H:22]([OH:42])[C@H:28]([n:36]2[cH:15][n:35][c:21]3[c:25]([NH2:30])[n:33][cH:14][n:34][c:26]32)[O:54]1)[C@H:24]([C:27](=[N:32][CH2:8][CH2:7][C:18](=[N:31][CH2:9][CH2:10][S:60][C:20]([CH2:11][C:16]([CH2:5][CH:3]=[CH:4][CH2:6][C:19](=[O:39])[OH:40])=[O:37])=[O:41])[OH:38])[OH:44])[OH:43]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
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-)
envipath:...74b0f8510d20
envipathM:...74b0f8510d20 		3-Oxo-5,6-dehydrosuberyl-CoA
bigg.metabolite:3oxdhscoa
biggM:3oxdhscoa 		3-oxo-5,6-dehydrosuberyl-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}
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
biggM:M_3oxdhscoa secondary/obsolete/fantasy identifier