CHEBI:29739 - 5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5α,9β,10α-labda-8(20),13-dien-15-yl diphosphate
ChEBI ID CHEBI:29739
ChEBI ASCII Name 5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate
Definition The 5α,9β,10α-diastereomer of copalyl diphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000008436880
Download Molfile XML SDF
Formula C20H36O7P2
Net Charge 0
Average Mass 450.44316
Monoisotopic Mass 450.19363
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-/m1/s1
InChIKey JCAIWDXKLCEQEO-HZEYQZKKSA-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,9β,10α-labda-8(20),13-dien-15-yl diphosphate (CHEBI:29739) is a copalyl diphosphate (CHEBI:23375)
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)
Incoming 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)
IUPAC Names
3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
5α,9β,10α-labda-8(20),13-dien-15-yl trihydrogen diphosphate
Synonyms Sources
syn-Copalyl diphosphate KEGG COMPOUND
syn-Copalyl diphosphate KEGG COMPOUND
Manual Xrefs Databases
C00000899 KNApSAcK
C11902 KEGG COMPOUND
LMPR0104030003 LIPID MAPS
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Last Modified
28 July 2014