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

ChEBI IDCHEBI:63750
ChEBI Name(5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate
Stars
ASCII Name(5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate
DefinitionA diterpenyl phosphate that is the O-diphospho derivative of (5S,9S,10S,13E)-labda-7,13-dien-15-ol.
Last Modified5 September 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H36O7P2
Net Charge0
Average Mass450.449
Monoisotopic Mass450.19363
SMILES[H][C@@]12CC=C(C)[C@H](CC/C(C)=C/COP(=O)(O)OP(=O)(O)O)[C@@]1(C)CCCC2(C)C
InChIInChI=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
InChIKeyCYXMSAANDYUEKO-ATPOGHATSA-N
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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 diphosphateChEBI
Citations