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(+)-copalyl diphosphate

PropertiesImage
MNX_IDMNXM738940 Image of MNXM738940
referencechebi:58635
formulaC20H33O7P2
global charge-3
mol weight447.425
InChIKeyJCAIWDXKLCEQEO-ATPOGHATSA-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+/m0/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+/m0/s1 Image of MNXM738940
SMILES (mnx)[C@H:1]1([CH2:16][CH2:15]/[C:13](=[CH:14]\[CH2:18][CH2:19][O:26]([CH2:20][O:24](=[O:21])([OH:22])[OH:25])(=[O:23])[OH:27])[CH3:17])[C:2](=[CH2:12])[CH2:8][CH2:9][C@@H:4]2[C@:3]1([CH3:11])[CH2:5][CH2:6][CH2:7][C:10]2([PH2:28])[PH2:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)18
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58635
chebi:58635
JCAIWDXKLCEQEO-ATPOGHATSA-K 		(+)-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-)

metacyc.compound:CPD-4750
metacycM:CPD-4750
JCAIWDXKLCEQEO-ATPOGHATSA-K 		(+)-copalyl diphosphate
labdadienyl diphosphate

CHEBI:30939
chebi:30939
JCAIWDXKLCEQEO-ATPOGHATSA-N 		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
JCAIWDXKLCEQEO-ATPOGHATSA-N 		Copalyl diphosphate

seed.compound:cpd19111
seedM:cpd19111
JCAIWDXKLCEQEO-ATPOGHATSA-L 		Copalyl diphosphate
(+)-Copalyl diphosphate
(+)-copalyl diphosphate
Labdadienyl diphosphate
labdadienyl diphosphate

kegg.compound:C11901
keggC:C11901
JCAIWDXKLCEQEO-ATPOGHATSA-N 		Copalyl diphosphate
(+)-Copalyl diphosphate
Labdadienyl diphosphate

chebi:10760
chebi:29558
keggC:M_C11901
seedM:M_cpd19111 		secondary/obsolete/fantasy identifier