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3-oxopentanoyl-CoA

MNXM13296 is deprecated and here replaced by MNXM1101900
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1101900Image of MNXM1101900
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
formulaC26H38N7O18P3S
charge-4
mass861.12288
referencemetacycM:CPD-13534
InChIKeyWIOQNWTZBOQTEU-ZMHDXICWSA-J
InChIInChI=1S/C26H42N7O18P3S/c1-4-14(34)9-17(36)55-8-7-28-16(35)5-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t15-,19-,20-,21+,25-/m1/s1
SMILESCCC(=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
metacyc.compound:CPD-13534
metacycM:CPD-13534 		3-oxopentanoyl-CoA
beta-ketovaleryl-CoA
bigg.metabolite:M00899
biggM:M00899 		3-Oxopentanoyl Coenzyme A
seed.compound:cpd23921
seedM:cpd23921 		beta-ketovaleryl-CoA
3-oxopentanoyl-CoA
biggM:M_M00899
seedM:M_cpd23921 		secondary/obsolete/fantasy identifier