prephytoene diphosphate

Chemical Formula:

C₄₀H₆₅O₇P₂

Molecular Weight:

719.897 Daltons

Monoisotopic Mass:

722.4440275575 Daltons

SMILES:

CC(=CCCC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(CCC=C(C)C)C)C)(C1COP(OP(=O)([O-])[O-])([O-])=O)C))C)C)C)C

InChI:

1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/p-3/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40+/m0/s1

InChIKey:

RVCNKTPCHZNAAO-IMSLGMFESA-K

Synonyms

(1R,2R,3R)-prephytoene diphosphate

Databases

MetaCyc: CPD-464

PubChem (CID): 122706259

HMDB: HMDB03023

ChEBI: 58011

KEGG: C03427

Seed: cpd02168

MetaNetX: MNXM1788