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CHEBI:58553 - 5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate(3−)

Default Structure
ChEBI IDCHEBI:58553
ChEBI Name5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate(3−)
Stars
ASCII Name5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl diphosphate(3-)
DefinitionAn organophosphate oxoanion that is a trianion resulting from the removal of all three protons from the diphosphate group of 5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate. The major species at pH 7.3.
Last Modified4 July 2018
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-PGHZQYBFSA-K
ChEBI Ontology
Outgoing Relation(s)
5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate(3−) (CHEBI:58553) is a organophosphate oxoanion (CHEBI:58945)
5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate(3−) (CHEBI:58553) is conjugate base of 5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate (CHEBI:28151)
Incoming Relation(s)
5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate (CHEBI:28151) is conjugate acid of 5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate(3−) (CHEBI:58553)
IUPAC Names 
3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate
UniProt Name  Source
ent-copalyl diphosphateUniProt