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(1R,2R,3R)-prephytoene diphosphate

MNXM1104209 is deprecated and here replaced by MNXM1363927
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363927 Image of MNXM1363927
referencechebi:58011
formulaC40H65O7P2
global charge-3
mol weight719.901
InChIKeyRVCNKTPCHZNAAO-UZDKSQMHSA-K
InChIInChI=1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/p-3/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m1/s1
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@]1(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
MNX internals
InChI (mnx)InChI=1/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m1/s1 Image of MNXM1363927
SMILES (mnx)[CH3:1][C:31]([CH3:2])=[CH:17][CH2:11][CH2:19]/[C:33]([CH3:5])=[CH:21]/[CH2:13][CH2:23]/[C:35]([CH3:7])=[CH:25]/[CH2:15][CH2:26]/[C:37]([CH3:9])=[CH:29]/[C@@H:38]1[C@@H:39]([CH2:30][O:46][P:49]([OH:44])(=[O:45])[O:47][P:48]([OH:41])([OH:42])=[O:43])[C@:40]1([CH3:10])[CH2:28][CH2:16]/[CH:27]=[C:36](\[CH3:8])[CH2:24][CH2:14]/[CH:22]=[C:34](\[CH3:6])[CH2:20][CH2:12][CH:18]=[C:32]([CH3:3])[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58011
chebi:58011
RVCNKTPCHZNAAO-UZDKSQMHSA-K 		(1R,2R,3R)-prephytoene diphosphate
(1R,2R,3R)-prephytoene diphosphate trianion
(1R,2R,3R)-prephytoene diphosphate(3-)
{(1R,2R,3R)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclopropyl}methyl diphosphate

CHEBI:17090
chebi:17090
RVCNKTPCHZNAAO-UZDKSQMHSA-N 		(1R,2R,3R)-prephytoene diphosphate
Prephytoene diphosphate
{(1R,2R,3R)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate

kegg.compound:C03427
keggC:C03427
RVCNKTPCHZNAAO-UZDKSQMHSA-N 		Prephytoene diphosphate
hmdb:HMDB0003023
RVCNKTPCHZNAAO-UZDKSQMHSA-N 		Prephytoene diphosphate
Prelycopersene pyrophosphate
Prephytoene diphosphoric acid
Prephytoene pyrophosphate
prephytoene diphosphate
{[hydroxy({[(1R,2R,3R)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclopropyl]methoxy})phosphoryl]oxy}phosphonic acid

vmhM:pphtd
vmhmetabolite:pphtd
RVCNKTPCHZNAAO-UZDKSQMHSA-K 		Prephytoene diphosphate
{[hydroxy({[(1R,2R,3R)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclopropyl]methoxy})phosphor

hmdb:HMDB03023
chebi:26260
chebi:8400
keggC:M_C03427
vmhM:M_pphtd 		secondary/obsolete/fantasy identifier