dinoflagellate luciferin

Chemical Formula:

C₃₃H₄₀N₄O₆

Molecular Weight:

588.702 Daltons

Monoisotopic Mass:

590.3104351016 Daltons

SMILES:

CCC4(C(C)=C(NC(CC3(=C(C)C2(C(=O)CC(=C1(NC(C([O-])=O)C(C)C1CCC([O-])=O))C2N3)))=4)CC5(C(C=C)=C(C)C(=O)N5))

InChI:

1S/C33H42N4O6/c1-7-18-14(3)22(12-25-19(8-2)16(5)32(41)36-25)34-24(18)13-23-17(6)28-26(38)11-21(31(28)35-23)30-20(9-10-27(39)40)15(4)29(37-30)33(42)43/h8,15,20,25,28-29,31,34-35,37H,2,7,9-13H2,1,3-6H3,(H,36,41)(H,39,40)(H,42,43)/p-2/b30-21+/t15-,20-,25?,28?,29-,31?/m0/s1

InChIKey:

VNJJVDXDLGZLDX-IYCYZSCJSA-L

Synonyms

reduced dinoflagellate luciferin

Databases

MetaCyc: CPD-13067

PubChem (CID): 129320508

ChEBI: 61796

Seed: cpd20952

MetaNetX: MNXM4576

KEGG: C19704