(R)-benzylsuccinyl-CoA

Chemical Formula:

C₃₂H₄₁N₇O₁₉P₃S

Molecular Weight:

952.693 Daltons

Monoisotopic Mass:

957.1782025529 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]

InChI:

1S/C32H46N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,16-17,19-20,24-26,30,43-44H,8-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-5/t19-,20-,24-,25-,26+,30-/m1/s1

InChIKey:

KIRGTNPWUTXDFF-PDQACDDGSA-I

Synonyms

benzylsuccinyl-CoA
(R)-2-benzylsuccinyl-CoA

Databases

MetaCyc: BENZYLSUCCINYL-COA

HMDB: HMDB12129

ChEBI: 57253

PubChem (CID): 45266532

KEGG: C09817

Seed: cpd06709

MetaNetX: MNXM2899