(R)-3-hydroxylauroyl-CoA

Chemical Formula:

C₃₃H₅₈N₇O₁₈P₃S

Molecular Weight:

965.836 Daltons

Monoisotopic Mass:

965.27719 Daltons

SMILES:

CCCCCCCCC[C@H](CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)O

InChI:

1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22-,26-,27-,28+,32-/m1/s1

InChIKey:

IJFLXRCJWPKGKJ-IGYWURMESA-N

Databases

ChEBI: 74451

MetaCyc: CPD-14918