CHEBI:50388 - tuberculosinyl diphosphate

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ChEBI Name tuberculosinyl diphosphate
ChEBI ID CHEBI:50388
Definition A diterpenyl phosphate that is the O-diphospho derivative of tuberculosinol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Secondary ChEBI IDs CHEBI:63713
Supplier Information
Download Molfile XML SDF
Formula C20H36O7P2
Net Charge 0
Average Mass 450.44316
Monoisotopic Mass 450.19363
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)/b15-11+/t16-,18+,20+/m0/s1
InChIKey BPSHPRCHMGHBGC-AHKHSGQUSA-N
SMILES [H][C@@]12CCCC(C)(C)C1=CC[C@H](C)[C@@]2(C)CC\C(C)=C\COP(O)(=O)OP(O)(O)=O
ChEBI Ontology
Outgoing tuberculosinyl diphosphate (CHEBI:50388) has functional parent tuberculosinol (CHEBI:50387)
tuberculosinyl diphosphate (CHEBI:50388) is a diterpenyl phosphate (CHEBI:36772)
tuberculosinyl diphosphate (CHEBI:50388) is conjugate acid of tuberculosinyl diphosphate(3−) (CHEBI:58822)
Incoming tuberculosinyl diphosphate(3−) (CHEBI:58822) is conjugate base of tuberculosinyl diphosphate (CHEBI:50388)
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 trihydrogen diphosphate
Synonyms Sources
5(6),13-halimadiene-15-yl diphosphate ChEBI
halima-5(6),13-dien-15-ol diphosphate ChEBI
halima-5,13-dien-15-yl diphosphate UniProt
tuberculosinol diphosphate ChEBI
Citations Waiting for Citations Types Sources
15719101 PubMed citation SUBMITTER
15719101 PubMed citation Europe PMC
Last Modified
24 January 2012