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9alpha-copalyl diphosphate

PropertiesImage
MNX_IDMNXM719 Image of MNXM719
referencechebi:58622
formulaC20H33O7P2
global charge-3
mol weight447.425
InChIKeyJCAIWDXKLCEQEO-HZEYQZKKSA-K
InChIInChI=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
SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM719
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58622
chebi:58622
JCAIWDXKLCEQEO-HZEYQZKKSA-K 		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
JCAIWDXKLCEQEO-HZEYQZKKSA-N 		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
JCAIWDXKLCEQEO-HZEYQZKKSA-N 		9alpha-Copalyl diphosphate
syn-Copalyl diphosphate

metacyc.compound:CPD-8719
metacycM:CPD-8719
JCAIWDXKLCEQEO-HZEYQZKKSA-K 		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
JCAIWDXKLCEQEO-HZEYQZKKSA-N 		syn-Copalyl diphosphate

seed.compound:cpd08700
seedM:cpd08700
JCAIWDXKLCEQEO-HZEYQZKKSA-L 		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
hmdb:HMDB0301829
JCAIWDXKLCEQEO-HZEYQZKKSA-N 		syn-Copalyl diphosphate
5a,9b,10a-Labda-8(20),13-dien-15-yl diphosphate
5a,9b,10a-Labda-8(20),13-dien-15-yl diphosphoric acid
5alpha,9beta,10alpha-Labda-8(20),13-dien-15-yl diphosphoric acid
5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate
5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphoric acid
9a-Copalyl diphosphate
9a-Copalyl diphosphoric acid
9alpha-Copalyl diphosphoric acid
9alpha-copalyl diphosphate
9alpha-copalyl diphosphoric acid
Syn-copalyl diphosphate
Syn-copalyl diphosphoric acid
[({[(2E)-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
syn-copalyl diphosphate

keggC:M_C11902
seedM:M_cpd08700 		secondary/obsolete/fantasy identifier