CHEBI:63682 - (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate(3−)

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ChEBI Name (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate(3−)
ChEBI ID CHEBI:63682
ChEBI ASCII Name (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate(3-)
Definition An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C20H33O7P2
Net Charge -3
Average Mass 447.420
Monoisotopic Mass 447.17180
InChI 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/h8,11,17-18H,6-7,9-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b15-11+/t17-,18-,20+/m0/s1
InChIKey CYXMSAANDYUEKO-ATPOGHATSA-K
SMILES [C@H]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])C(C)=CC[C@@]2([C@]1(C)CCCC2(C)C)[H]
ChEBI Ontology
Outgoing (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate(3−) (CHEBI:63682) is a organophosphate oxoanion (CHEBI:58945)
(5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate(3−) (CHEBI:63682) is conjugate base of (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate (CHEBI:63750)
Incoming (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate (CHEBI:63750) is conjugate acid of (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate(3−) (CHEBI:63682)
IUPAC Name
(2E)-3-methyl-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
Synonyms Sources
(13E)-labda-7,13-dien-15-yl diphosphate UniProt
(13E)-labda-7,13-dien-15-yl diphosphate(3−) ChEBI
Citations Waiting for Citations Types Sources
21751328 PubMed citation SUBMITTER
26814669 PubMed citation Europe PMC
Last Modified
05 September 2017