3-oxopimeloyl-CoA

Chemical Formula:

C₂₈H₃₉N₇O₂₀P₃S

Molecular Weight:

918.632 Daltons

Monoisotopic Mass:

923.1574671108 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

InChI:

1S/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-14,16,21-23,27,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/p-5/t16-,21-,22-,23+,27-/m1/s1

InChIKey:

KJXFOFKTZDJLMQ-UYRKPTJQSA-I

Synonyms

3-oxopimelyl-CoA
3-ketopimeloyl-CoA
3-ketopimelyl-CoA

Databases

MetaCyc: 3-OXOPIMELOYL-COA

RefMet: 3-oxopimeloyl-CoA

ChEBI: 57350

PubChem (CID): 45266579

HMDB: HMDB12158

KEGG: C06715

Seed: cpd04104

MetaNetX: MNXM2941