CHEBI:30939 - 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate
ChEBI ID CHEBI:30939
ChEBI ASCII Name 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate
Definition The 5α,9α,10β-diastereomer of copalyl diphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10760, CHEBI:29558
Supplier Information
Download Molfile XML SDF
Formula C20H36O7P2
Net Charge 0
Average Mass 450.44316
Monoisotopic Mass 450.194
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)/b15-11+/t17-,18-,20+/m0/s1
InChIKey JCAIWDXKLCEQEO-ATPOGHATSA-N
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 (CHEBI:30939) is a copalyl diphosphate (CHEBI:23375)
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)
5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate (CHEBI:30939) is enantiomer of 5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate (CHEBI:28151)
Incoming 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)
5β,9α,10α-labda-8(20),13-dien-15-yl diphosphate (CHEBI:28151) is enantiomer of 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate (CHEBI:30939)
IUPAC Names
1α,4aα,8aβ-labda-8(20),13-dien-15-yl trihydrogen diphosphate
3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
Synonyms Sources
(+)-Copalyl diphosphate KEGG COMPOUND
Copalyl diphosphate KEGG COMPOUND
copalyl diphosphate IUBMB
Labdadienyl diphosphate KEGG COMPOUND
Database Links Databases
C00000876 KNApSAcK
C11901 KEGG COMPOUND
LMPR0104030002 LIPID MAPS
View more database links
Last Modified
28 July 2014