CHEBI:58822 - tuberculosinyl diphosphate(3−)

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ChEBI Name tuberculosinyl diphosphate(3−)
ChEBI ID CHEBI:58822
ChEBI ASCII Name tuberculosinyl diphosphate(3-)
Definition A organophosphate oxoanion arising from deprotonation of the three diphosphate OH groups of tuberculosinyl diphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H33O7P2
Net Charge -3
Average Mass 447.42100
Monoisotopic Mass 447.17180
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
InChIKey BPSHPRCHMGHBGC-AHKHSGQUSA-K
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
ChEBI Ontology
Outgoing tuberculosinyl diphosphate(3−) (CHEBI:58822) is a organophosphate oxoanion (CHEBI:58945)
tuberculosinyl diphosphate(3−) (CHEBI:58822) is conjugate base of tuberculosinyl diphosphate (CHEBI:50388)
Incoming tuberculosinyl diphosphate (CHEBI:50388) is conjugate acid of tuberculosinyl diphosphate(3−) (CHEBI:58822)
IUPAC Name
(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
Synonyms Sources
tuberculosinyl diphosphate UniProt
{[(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 ChEBI
Last Modified
15 July 2015