3-oxo-palmitoyl-CoA

Chemical Formula:

C₃₇H₆₀N₇O₁₈P₃S

Molecular Weight:

1015.898 Daltons

Monoisotopic Mass:

1019.3241385086 Daltons

SMILES:

CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t26-,30-,31-,32+,36-/m1/s1

InChIKey:

NQMPLXPCRJOSHL-BBECNAHFSA-J

Synonyms

3-keto-palmitoyl-CoA
3-oxohexadecanoyl-CoA

Databases

MetaCyc: 3-OXOPALMITOYL-COA

RefMet: 3-oxopalmitoyl-CoA

BiGG: 3ohdcoa

MetaboLights: MTBLC57349

HMDB: HMDB06402

ChEBI: 57349

PubChem (CID): 25244191

KEGG: C05259

Reactome: 77302

Seed: cpd03114

MetaNetX: MNXM738