EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:30939 - 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate
| Formula | C20H36O7P2 |
| Net Charge | 0 |
| Average Mass | 450.449 |
| Monoisotopic Mass | 450.19363 |
| SMILES | [H][C@@]12CCC(=C)[C@H](CC/C(C)=C/COP(=O)(O)OP(=O)(O)O)[C@@]1(C)CCCC2(C)C |
| 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 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| Copalyl diphosphate | KEGG COMPOUND |
| (+)-Copalyl diphosphate | KEGG COMPOUND |
| copalyl diphosphate | IUBMB |
| Labdadienyl diphosphate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C11901 | KEGG COMPOUND |
| LMPR0104030002 | LIPID MAPS |
| C00000876 | KNApSAcK |