EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:29739 - 5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate

ChEBI IDCHEBI:29739
ChEBI Name5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate
Stars
ASCII Name5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate
DefinitionThe 5α,9β,10α-diastereomer of copalyl diphosphate.
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H36O7P2
Net Charge0
Average Mass450.449
Monoisotopic Mass450.19363
SMILES[H][C@@]12CCC(=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/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18+,20-/m1/s1
InChIKeyJCAIWDXKLCEQEO-HZEYQZKKSA-N
ChEBI Ontology
Outgoing Relation(s)
5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate (CHEBI:29739) is a copalyl diphosphate (CHEBI:23375)
5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate (CHEBI:29739) is conjugate acid of 5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate(3−) (CHEBI:58622)
Incoming Relation(s)
5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate(3−) (CHEBI:58622) is conjugate base of 5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate (CHEBI:29739)
IUPAC Names 
3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
5α,9β,10α-labda-8(20),13-dien-15-yl trihydrogen diphosphate
Synonyms  Source
syn-Copalyl diphosphateKEGG COMPOUND
syn-Copalyl diphosphateKEGG COMPOUND
Manual XrefsDatabases
C00000899KNApSAcK
C11902KEGG COMPOUND
LMPR0104030003LIPID MAPS