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3-hydroxyoctanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM162800Image of MNXM162800
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
formulaC29H46N7O18P3S
charge-4
mass905.18548
referencechebi:86040
InChIKeyATVGTMKWKDUCMS-UGRYODIPSA-J
InChIInChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17?,18-,22-,23-,24+,28-/m1/s1
SMILESCCCCCC(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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:86040
chebi:86040
3-hydroxyoctanoyl-CoA
3-hydroxycapryloyl-CoA(4-)
3-hydroxycapryloyl-coenzyme A(4-)
3-hydroxyoctanoyl-CoA(4-)
3-hydroxyoctanoyl-coenzyme A(4-)
CHEBI:86321
chebi:86321
3-hydroxyoctanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyoctanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-hydroxycapryloyl-CoA
3-hydroxycapryloyl-coenzyme A
3-hydroxyoctanoyl-coenzyme A
seed.compound:cpd16779
seedM:cpd16779
3-hydroxyoctanoyl-CoA
3hc8coa
seedM:M_cpd16779 secondary/obsolete/fantasy identifier