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tuberculosinyl diphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1687

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₀H₃₃O₇P₂

charge

-3

mass

447.419342

reference

chebi:58822

InChIKey

BPSHPRCHMGHBGC-AHKHSGQUSA-K

InChI

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

SMILES

C[C@H]1CC=C2[C@@H](CCCC2(C)C)[C@]1(C)CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58822 chebi:58822	tuberculosinyl diphosphate (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate tuberculosinyl diphosphate(3-) {[(2E)-5-[(1R,2S,8aR)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl phosphonato]oxy}phosphonate
kegg.compound:C19836 keggC:C19836	Halima-5(6),13-dien-15-yl diphosphate Tuberculosinyl diphosphate
seed.compound:cpd21078 seedM:cpd21078	Halima-5(6),13-dien-15-yl diphosphate Tuberculosinyl diphosphate halima-5,13-dien-15-yl diphosphate halimadienyl diphosphate tuberculosinol diphosphate tuberculosinyl diphosphate
CHEBI:50388 chebi:50388	halima-5,13-dien-15-yl diphosphate (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate 5(6),13-halimadiene-15-yl diphosphate halima-5(6),13-dien-15-ol diphosphate tuberculosinol diphosphate tuberculosinyl diphosphate
SLM:000390227 slm:000390227	tuberculosinyl diphosphate
lipidmaps:LMPR0104030006 lipidmapsM:LMPR0104030006	tuberculosinyl diphosphate (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate halima-5(6),13-dien-15-ol tuberculosinol diphosphate
metacyc.compound:CPD-10116 metacycM:CPD-10116	tuberculosinyl diphosphate halima-5,13-dien-15-yl diphosphate halimadienyl diphosphate tuberculosinol diphosphate
chebi:63713 keggC:M_C19836 seedM:M_cpd21078	secondary/obsolete/fantasy identifier