D-firefly luciferyl-CoA

Chemical Formula:

C₃₂H₃₈N₉O₁₈P₃S₃

Molecular Weight:

1025.803 Daltons

Monoisotopic Mass:

1029.1022771927999 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CSC(=N1)C2(=NC3(=CC=C(O)C=C(S2)3))))COP(=O)(OP(=O)(OCC4(C(OP([O-])(=O)[O-])C(O)C(O4)N6(C5(=C(C(N)=NC=N5)N=C6))))[O-])[O-]

InChI:

1S/C32H42N9O18P3S3/c1-32(2,24(45)27(46)35-6-5-20(43)34-7-8-63-31(47)17-11-64-28(40-17)29-39-16-4-3-15(42)9-19(16)65-29)12-56-62(53,54)59-61(51,52)55-10-18-23(58-60(48,49)50)22(44)30(57-18)41-14-38-21-25(33)36-13-37-26(21)41/h3-4,9,13-14,17-18,22-24,30,42,44-45H,5-8,10-12H2,1-2H3,(H,34,43)(H,35,46)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/p-4/t17-,18-,22-,23-,24+,30-/m1/s1

InChIKey:

UIZNKBFSRZHFMA-FDGSWQJKSA-J

Synonyms

D-photinus luciferyl-CoA

Databases

MetaCyc: CPD-20211

PubChem (CID): 129320348 137229813