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CHEBI:58622 - 5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate(3−)

Default Structure
ChEBI IDCHEBI:58622
ChEBI Name5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate(3−)
Stars
ASCII Name5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of 5α,9β,10α-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-/m1/s1
InChIKeyJCAIWDXKLCEQEO-HZEYQZKKSA-K
ChEBI Ontology
Outgoing Relation(s)
5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate(3−) (CHEBI:58622) is a organophosphate oxoanion (CHEBI:58945)
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)
Incoming Relation(s)
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)
IUPAC Names 
3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate
UniProt Name  Source
9α-copalyl diphosphateUniProt