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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate(3−)
ChEBI ID CHEBI:58635
ChEBI ASCII Name 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate(3-)
Definition Trianion of 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H33O7P2
Net Charge -3
Average Mass 447.41930
Monoisotopic Mass 447.17180
InChI InChI=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
InChIKey JCAIWDXKLCEQEO-ATPOGHATSA-K
SMILES [H][C@@]12CCC(=C)[C@H](CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O)[C@@]1(C)CCCC2(C)C
ChEBI Ontology
Outgoing 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 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
Synonym Source
(+)-copalyl diphosphate UniProt
Last Modified
13 January 2014