Search MNXref
 Feedback

(13E)-labda-7,13-dien-15-yl diphosphate

PropertiesImage
MNX_IDMNXM4155 Image of MNXM4155
referencechebi:63682
formulaC20H33O7P2
global charge-3
mol weight447.425
InChIKeyCYXMSAANDYUEKO-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/h8,11,17-18H,6-7,9-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b15-11+/t17-,18-,20+/m0/s1
SMILESCC1=CC[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/h8,11,17-18H,6-7,9-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m0/s1 Image of MNXM4155
SMILES (mnx)[CH3:1]/[C:15]([CH2:7][CH2:9][C@H:17]1[C:16]([CH3:2])=[CH: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)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63682
chebi:63682
CYXMSAANDYUEKO-ATPOGHATSA-K 		(13E)-labda-7,13-dien-15-yl diphosphate
(13E)-labda-7,13-dien-15-yl diphosphate(3-)
(2E)-3-methyl-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
(5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate(3-)

kegg.compound:C21727
keggC:C21727
CYXMSAANDYUEKO-ATPOGHATSA-N 		(13E)-Labda-7,13-dien-15-yl diphosphate
(13E)-Labda-7,13-dienyl diphosphate

metacyc.compound:CPD-15177
metacycM:CPD-15177
seed.compound:cpd34384
seedM:cpd34384
CYXMSAANDYUEKO-ATPOGHATSA-K
CYXMSAANDYUEKO-ATPOGHATSA-L 		(13E)-labda-7,13-dien-15-yl diphosphate
(13E)-labda-7,13-dienyl diphosphate

CHEBI:63750
chebi:63750
CYXMSAANDYUEKO-ATPOGHATSA-N 		(5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate
(13E)-labda-7,13-dien-15-yl diphosphate
(2E)-3-methyl-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate

keggC:M_C21727
seedM:M_cpd34384 		secondary/obsolete/fantasy identifier