(+)-copalyl diphosphate

Chemical Formula:

C₂₀H₃₃O₇P₂

Molecular Weight:

447.424 Daltons

Monoisotopic Mass:

450.1936265303 Daltons

SMILES:

CC(=CCOP([O-])(=O)OP([O-])([O-])=O)CC[CH]1(C2(CCCC(C)(C)[CH](CCC(=C)1)2)C)

InChI:

1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/p-3/b15-11+/t17-,18-,20+/m0/s1

InChIKey:

JCAIWDXKLCEQEO-ATPOGHATSA-K

Synonyms

labdadienyl diphosphate
Copalyl diphosphate

Databases

MetaCyc: CPD-4750

ChEBI: 58635 30939

PubChem (CID): 25244380

KEGG: C11901

PupChem (SID): 14063

LIPID MAPS: LMPR0104030002

KNApSAcK: C00000876

NIKKAJI: J1.305.745A J1.457.020I

Seed: cpd19111

MetaNetX: MNXM627