Showing Metabocard for 3-oxopropanoyl-CoA (BASm0007249)

Not AvailableNot AvailableNot Available
Common Name3-oxopropanoyl-coa
DescriptionNot Available
Structure
Molecular FormulaC24H34N7O18P3S
Average Mass833.55000
Monoisotopic Mass833.09158
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number6244-93-5
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
InChI IdentifierInChI=1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/p-4/t13-,17-,18-,19+,23-/m1/s1
InChI KeyNMEYBPUHJHMRHU-IEXPHMLFSA-J
CHEBI IDCHEBI:84996
HMDB IDHMDB0002170
MiMeDB IDMMDBc0048718
Pathways
NameSMPDB/PathBank
Propanoate metabolism
Malonic Aciduria
Methylmalonic Aciduria Due to Cobalamin-Related Disorders
Malonyl-coa decarboxylase deficiency
StateExpected Solid
Water SolubilityNot Available
logSNot Available
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)Not Available
Hydrogen Acceptor CountNot Available
Hydrogen Donor CountNot Available
Rotatable Bond CountNot Available
Physiological ChargeNot Available
Formal ChargeNot Available
PolarizabilityNot Available

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