9α-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-/m1/s1

InChIKey:

JCAIWDXKLCEQEO-HZEYQZKKSA-K

Synonyms

syn-copalyl diphosphate
9β-labdadienyl diphosphate

Databases

MetaCyc: CPD-8719

PubChem (CID): 25244367

ChEBI: 58622 29739

KEGG: C11902

Seed: cpd08700

MetaNetX: MNXM719

PupChem (SID): 14064

LIPID MAPS: LMPR0104030003

KNApSAcK: C00000899

NIKKAJI: J1.556.818F