CHEBI:63750 - (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate
ChEBI ID CHEBI:63750
ChEBI ASCII Name (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate
Definition A diterpenyl phosphate that is the O-diphospho derivative of (5S,9S,10S,13E)-labda-7,13-dien-15-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H36O7P2
Net Charge 0
Average Mass 450.444
Monoisotopic Mass 450.19363
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)/b15-11+/t17-,18-,20+/m0/s1
InChIKey CYXMSAANDYUEKO-ATPOGHATSA-N
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 (CHEBI:63750) is a diterpenyl phosphate (CHEBI:36772)
(5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate (CHEBI:63750) is a labdane diterpenoid (CHEBI:36770)
(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)
Incoming (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)
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 trihydrogen diphosphate
Synonym Source
(13E)-labda-7,13-dien-15-yl diphosphate ChEBI
Citations Waiting for Citations Types Sources
21751328 PubMed citation Europe PMC
26814669 PubMed citation Europe PMC
Last Modified
05 September 2017