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CHEBI:58635 - 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate(3−)

ChEBI IDCHEBI:58635
ChEBI Name5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate(3−)
Stars
ASCII Name5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate(3-)
DefinitionTrianion of 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate.
Last Modified13 January 2014
DownloadsMolfile
FormulaC20H33O7P2
Net Charge-3
Average Mass447.425
Monoisotopic Mass447.17180
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)/p-3/b15-11+/t17-,18-,20+/m0/s1
InChIKeyJCAIWDXKLCEQEO-ATPOGHATSA-K
ChEBI Ontology
Outgoing Relation(s)
5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate(3−) (CHEBI:58635) is a organophosphate oxoanion (CHEBI:58945)
5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate(3−) (CHEBI:58635) is conjugate base of 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate (CHEBI:30939)
Incoming Relation(s)
5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate (CHEBI:30939) is conjugate acid of 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate(3−) (CHEBI:58635)
IUPAC Names 
1α,4aα,8aβ-labda-8(20),13-dien-15-yl diphosphate
3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
UniProt Name  Source
(+)-copalyl diphosphateUniProt