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9alpha-copalyl diphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM719

	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	6

formula

C₂₀H₃₃O₇P₂

charge

-3

mass

447.1718

reference

chebi:58622

InChIKey

JCAIWDXKLCEQEO-HZEYQZKKSA-K

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-/m1/s1

SMILES

C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58622 chebi:58622	9alpha-copalyl diphosphate 3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate 5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate 5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate(3-)
CHEBI:29739 chebi:29739	5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate 3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate 5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl trihydrogen diphosphate syn-Copalyl diphosphate
kegg.compound:C11902 keggC:C11902	9alpha-Copalyl diphosphate syn-Copalyl diphosphate
metacyc.compound:CPD-8719 metacycM:CPD-8719	9alpha-copalyl diphosphate (2E)-3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate 9beta-labdadienyl diphosphate syn-copalyl diphosphate
lipidmaps:LMPR0104030003 lipidmapsM:LMPR0104030003	syn-Copalyl diphosphate
seed.compound:cpd08700 seedM:cpd08700	syn-Copalyl diphosphate (+)-syn-copalyl diphosphate (-)-syn-copalyl diphosphate (2E)-3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate 9alpha-Copalyl diphosphate 9alpha-copalyl diphosphate 9beta-labdadienyl diphosphate
keggC:M_C11902 seedM:M_cpd08700	secondary/obsolete/fantasy identifier