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copalyl diphosphate

MNXM627 is deprecated and here replaced by MNXM738939
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738939 Image of MNXM738939
referencechebi:23375
formulaC20H36O7P2
global charge0
mol weight450.449
InChIKeyJCAIWDXKLCEQEO-RVDMUPIBSA-N
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)/b15-11+
SMILESC=C1CCC2C(C)(C)CCCC2(C)C1CC/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? Image of MNXM738939
SMILES (mnx)[CH3:1]/[C:15]([CH2:7][CH2:9][CH:17]1[C:16](=[CH2:2])[CH2:8][CH2:10][CH: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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:23375
chebi:23375
JCAIWDXKLCEQEO-RVDMUPIBSA-N 		copalyl diphosphate
3-methyl-5-(5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl)pent-2-en-1-yl trihydrogen phosphate