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(+)-kolavenyl diphosphate

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1373638

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₀H₃₃O₇P₂

charge

-3

mass

447.423

reference

chebi:138311

InChIKey

LKJRXYMJDDAXEN-LZLHAIBVSA-K

InChI

InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b15-11+/t17-,18-,19+,20+/m0/s1

SMILES

[CH3:1]/[C:15]([CH2:9][CH2:12][C@:19]1([CH3:4])[C@@H:17]([CH3:3])[CH2:10][CH2:13][C@:20]2([CH3:5])[C:16]([CH3:2])=[CH:7][CH2:6][CH2:8][C@@H:18]12)=[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:138311 chebi:138311	(+)-kolavenyl diphosphate (+)-kolavenyl diphosphate(3-) (2E)-3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
kegg.compound:C21654 keggC:C21654	(+)-Kolavenyl diphosphate
CHEBI:139034 chebi:139034	(+)-kolavenyl diphosphate (+)-kolavenyl pyrophosphate (2E)-3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
seed.compound:cpd33540 seedM:cpd33540	(+)-kolavenyl diphosphate (2E)-3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
keggC:M_C21654 seedM:M_cpd33540	secondary/obsolete/fantasy identifier