Showing Metabocard for (S)-2-benzoylsuccinyl-CoA (BASm0011958)

Not AvailableNot AvailableNot Available
Common Name(s)-2-benzoylsuccinyl-coa
DescriptionAn acyl-CoA(4-) arising from deprotonation of the phosphate, diphosphate and carboxy groups of (S)-2-benzoylsuccinyl-CoA.
Structure
Molecular FormulaC32H39N7O20P3S
Average Mass966.68000
Monoisotopic MassNot Available
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
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)[C@@H](CC(=O)[O-])C(=O)c1ccccc1
InChI IdentifierInChI=1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,24-26,30,44-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/p-5/t18-,19+,24+,25+,26-,30+/m0/s1
InChI KeySGNPJINSCKFITG-BBJTXHABSA-I
CHEBI IDCHEBI:189060
StateNot Available
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 Charge-5
PolarizabilityNot Available

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