(-)-kolavenyl diphosphate (CHEBI:139033)

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CHEBI:139033 - (−)-kolavenyl diphosphate

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ChEBI ID	CHEBI:139033
ChEBI Name	(−)-kolavenyl diphosphate
Stars
ASCII Name	(-)-kolavenyl diphosphate
Definition	A diterpenyl phosphate that is the O-diphospho derivative of (−)-kolavenol
Last Modified	13 November 2017
Submitter	Steve
Downloads	Molfile

Formula	C20H36O7P2
Net Charge	0
Average Mass	450.449
Monoisotopic Mass	450.19363
SMILES	[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)CC/C(C)=C/COP(=O)(O)OP(=O)(O)O
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)/b15-11+/t17-,18-,19+,20+/m1/s1
InChIKey	LKJRXYMJDDAXEN-UUMJGGROSA-N

Species of Metabolite	Component	Source	Comments
Salvia divinorum (ncbitaxon:28513)	-	PubMed (28204567)

Roles Classification

Biological Role:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	(−)-kolavenyl diphosphate (CHEBI:139033) has role plant metabolite (CHEBI:76924)
	(−)-kolavenyl diphosphate (CHEBI:139033) is a diterpenyl phosphate (CHEBI:36772)
	(−)-kolavenyl diphosphate (CHEBI:139033) is a octahydronaphthalenes (CHEBI:138397)
	(−)-kolavenyl diphosphate (CHEBI:139033) is conjugate acid of (−)-kolavenyl diphosphate(3−) (CHEBI:138310)
	(−)-kolavenyl diphosphate (CHEBI:139033) is enantiomer of (+)-kolavenyl diphosphate (CHEBI:139034)
Incoming Relation(s)
	(−)-kolavenyl diphosphate(3−) (CHEBI:138310) is conjugate base of (−)-kolavenyl diphosphate (CHEBI:139033)
	(+)-kolavenyl diphosphate (CHEBI:139034) is enantiomer of (−)-kolavenyl diphosphate (CHEBI:139033)

IUPAC Name
(2E)-3-methyl-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate

Synonym	Source
(−)-kolavenyl pyrophosphate	ChEBI

Manual Xrefs	Databases
CPD-20259	MetaCyc

Citations