pimeloyl-CoA

Chemical Formula:

C₂₈H₄₁N₇O₁₉P₃S

Molecular Weight:

904.649 Daltons

Monoisotopic Mass:

909.1782025529 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCC([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/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-5/t16-,21-,22-,23+,27-/m1/s1

InChIKey:

LYCRXMTYUZDUGA-UYRKPTJQSA-I

Synonyms

6-carboxyhexanoyl-CoA
pimelyl-CoA

Databases

MetaCyc: CPD-558

RefMet: Pimeloyl-CoA

BiGG: pmcoa

ChEBI: 57360

PubChem (CID): 45266589 3082140

KEGG: C01063

Seed: cpd00782

MetaNetX: MNXM951