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(+)-copalyl diphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1375903

	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	3

formula

C₂₀H₃₃O₇P₂

charge

-3

mass

447.423

reference

chebi:58635

InChIKey

JCAIWDXKLCEQEO-ATPOGHATSA-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+/m0/s1

SMILES

[CH3:1]/[C:15]([CH2:7][CH2:9][C@H:17]1[C:16](=[CH2:2])[CH2:8][CH2:10][C@H:18]2[C:19]([CH3:3])([CH3:4])[CH2:12][CH2:6][CH2:13][C@:20]12[CH3:5])=[CH:11]\[CH2:14][O:26][P:29]([OH:24])(=[O:25])[O:27][P:28]([OH:21])([OH:22])=[O:23]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58635 chebi:58635	(+)-copalyl diphosphate 1alpha,4aalpha,8abeta-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 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate(3-)
CHEBI:30939 chebi:30939	5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate (+)-Copalyl diphosphate 1alpha,4aalpha,8abeta-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 Copalyl diphosphate Labdadienyl diphosphate copalyl diphosphate
lipidmaps:LMPR0104030002 lipidmapsM:LMPR0104030002	Copalyl diphosphate
seed.compound:cpd19111 seedM:cpd19111	Copalyl diphosphate (+)-Copalyl diphosphate (+)-copalyl diphosphate Labdadienyl diphosphate labdadienyl diphosphate
kegg.compound:C11901 keggC:C11901	Copalyl diphosphate (+)-Copalyl diphosphate Labdadienyl diphosphate
chebi:10760 chebi:29558 keggC:M_C11901 seedM:M_cpd19111	secondary/obsolete/fantasy identifier