palmitoyl-CoA

Chemical Formula:

C₃₇H₆₂N₇O₁₇P₃S

Molecular Weight:

1001.915 Daltons

Monoisotopic Mass:

1005.3448739507 Daltons

SMILES:

CCCCCCCCCCCCCCCC(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-])=O

InChI:

1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/t26-,30-,31-,32+,36-/m1/s1

InChIKey:

MNBKLUUYKPBKDU-BBECNAHFSA-J

Synonyms

Palmitoyl-CoA (n-C16:0CoA)
hexadecanoyl CoA
palmityl-CoA
palmitoyl coenzyme A
palmitoyl CoA

Databases

MetaCyc: PALMITYL-COA

RefMet: Palmitoyl-CoA

BiGG: pmtcoa

MetaboLights: MTBLC57379

HMDB: HMDB01338

ChEBI: 57379 15525

PubChem (CID): 45266605 644109

KEGG: C00154

CAS: 1763-10-6

PupChem (SID): 3454

CHEMBL: CHEMBL3904487

LIPID MAPS: LMFA07050360

PDB-CCD: PKZ

NIKKAJI: J207.891K

Reactome: 5358339

Seed: cpd00134

MetaNetX: MNXM88

KNApSAcK: C00007462