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8-hydroxycopalyl diphosphate

PropertiesImage
MNX_IDMNXM4530 Image of MNXM4530
referencechebi:64283
formulaC20H35O8P2
global charge-3
mol weight465.44
InChIKeyZDGVATANBJCRHY-NUKBDRAPSA-K
InChIInChI=1S/C20H38O8P2/c1-15(10-14-27-30(25,26)28-29(22,23)24)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21/h10,16-17,21H,6-9,11-14H2,1-5H3,(H,25,26)(H2,22,23,24)/p-3/b15-10+/t16-,17+,19-,20+/m0/s1
SMILESC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O
MNX internals
InChI (mnx)InChI=1/C20H38O8P2/c1-15(10-14-27-30(25,26)28-29(22,23)24)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21/h10,16-17,21H,6-9,11-14H2,1-5H3,(H,25,26)(H2,22,23,24)/b15-10+/t16-,17+,19-,20+/m0/s1 Image of MNXM4530
SMILES (mnx)[CH3:1]/[C:15]([CH2:7][CH2:8][C@@H:17]1[C@@:19]2([CH3:4])[CH2:12][CH2:6][CH2:11][C:18]([CH3:2])([CH3:3])[C@@H:16]2[CH2:9][CH2:13][C@@:20]1([CH3:5])[OH:21])=[CH:10]\[CH2:14][O:27][P:30]([OH:25])(=[O:26])[O:28][P:29]([OH:22])([OH:23])=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64283
chebi:64283
ZDGVATANBJCRHY-NUKBDRAPSA-K 		8-hydroxycopalyl diphosphate
(13E)-8alpha-hydroxylabda-13-en-15-yl diphosphate
copal-8-ol diphosphate trianion
copal-8-ol diphosphate(3-)

metacyc.compound:CPD-12745
metacycM:CPD-12745
ZDGVATANBJCRHY-NUKBDRAPSA-K 		(13E)-8alpha-hydroxylabd-13-en-15-yl diphosphate
8-hydroxycopalyl diphosphate

seed.compound:cpd23558
seedM:cpd23558
ZDGVATANBJCRHY-NUKBDRAPSA-L 		(13E)-8alpha-hydroxylabda-13-en-15-yl diphosphate
(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate
(13E)-8alpha-hydroxylabd-13-en-15-yl diphosphate
8-hydroxycopalyl diphosphate
Copal-8-ol diphosphate
copal-8-ol-diphosphate

kegg.compound:C20270
keggC:C20270
ZDGVATANBJCRHY-NUKBDRAPSA-N 		Copal-8-ol diphosphate
(13E)-8alpha-Hydroxylabd-13-en-15-yl diphosphate

CHEBI:64293
chebi:64293
ZDGVATANBJCRHY-NUKBDRAPSA-N 		copal-8-ol diphosphate
(2E)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl trihydrogen diphosphate

keggC:M_C20270
seedM:M_cpd23558 		secondary/obsolete/fantasy identifier