auricoloyl-CoA

Chemical Formula:

C₄₁H₆₆N₇O₁₈P₃S

Molecular Weight:

1069.99 Daltons

Monoisotopic Mass:

1073.3710887012 Daltons

SMILES:

CCC=CCCC(O)CC=CCCCCCCCCCC(=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/C41H70N7O18P3S/c1-4-5-6-15-18-29(49)19-16-13-11-9-7-8-10-12-14-17-20-32(51)70-24-23-43-31(50)21-22-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h5-6,13,16,27-30,34-36,40,49,52-53H,4,7-12,14-15,17-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b6-5-,16-13-/t29-,30-,34-,35-,36+,40-/m1/s1

InChIKey:

YXBOBEUNDFMUCP-UBNAOBJYSA-J

Synonyms

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

Databases

MetaCyc: CPD-15367

PubChem (CID): 91820205

MetaNetX: MNXM148096