(6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA

Chemical Formula:

C₄₅H₆₄N₇O₁₈P₃S

Molecular Weight:

1116.018 Daltons

Monoisotopic Mass:

1119.3554386370001 Daltons

SMILES:

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)CC(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/C45H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1

InChIKey:

DNHDPAXPQGYGIJ-KWFBMMABSA-J

Synonyms

(6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosa-6,9,12,15,18,21-hexaenoyl-CoA

Databases

MetaCyc: CPD-17388

ChEBI: 74304

PubChem (CID): 71581251

Reactome: 2066762

Seed: cpd15092

HMDB: HMDB60313

MetaNetX: MNXM91783

KEGG: C16376