3-oxo-auricoloyl-CoA

Chemical Formula:

C₄₁H₆₄N₇O₁₉P₃S

Molecular Weight:

1083.973 Daltons

Monoisotopic Mass:

1087.3503532591 Daltons

SMILES:

CCC=CCCC(O)CC=CCCCCCCCC(=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/C41H68N7O19P3S/c1-4-5-6-13-16-28(49)17-14-11-9-7-8-10-12-15-18-29(50)23-32(52)71-22-21-43-31(51)19-20-44-39(55)36(54)41(2,3)25-64-70(61,62)67-69(59,60)63-24-30-35(66-68(56,57)58)34(53)40(65-30)48-27-47-33-37(42)45-26-46-38(33)48/h5-6,11,14,26-28,30,34-36,40,49,53-54H,4,7-10,12-13,15-25H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b6-5-,14-11-/t28-,30-,34-,35-,36+,40-/m1/s1

InChIKey:

FGCWEBKTQLBCLR-JRSZCNINSA-J

Synonyms

3-oxo-(11Z,17Z)-14R-hydroxy-icosa-11,17-dienoyl-CoA

Databases

MetaCyc: CPD-17401

PubChem (CID): 91819742

MetaNetX: MNXM147798