tuberculosinyl diphosphate

Chemical Formula:

C₂₀H₃₃O₇P₂

Molecular Weight:

447.424 Daltons

Monoisotopic Mass:

450.1936265303 Daltons

SMILES:

CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CCC1(C)(C(C)CC=C2(C(C)(C)CCCC12))

InChI:

1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18H,6-8,10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b15-11+/t16-,18?,20+/m0/s1

InChIKey:

BPSHPRCHMGHBGC-PBLKKJIZSA-K

Synonyms

halimadienyl diphosphate
halima-5,13-dien-15-yl diphosphate
tuberculosinol diphosphate

Databases

MetaCyc: CPD-10116

PubChem (CID): 25245347

Seed: cpd21078

MetaNetX: MNXM1687

KEGG: C19836