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FHP : Summary

Code

FHP

One-letter code

X

Molecule name

1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 [(1R,2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phosphonic acid
OpenEye OEToolkits 1.5.0 [(1R,2E,6E)-1-hydroxy-3,7,11-trimethyl-dodeca-2,6,10-trienyl]phosphonic acid

Formula

C15 H27 O4 P

Formal charge

0

Molecular weight

302.346 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)C(O)/C=C(/CC\C=C(/C)CC\C=C(/C)C)C
SMILES CACTVS 3.341 CC(C)=CCCC(C)=CCCC(C)=C[CH](O)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=CCCC(=CCCC(=CC(O)P(=O)(O)O)C)C)C
Canonical SMILES CACTVS 3.341 CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H](O)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/C)/C)C

IUPAC InChI

InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,11,15-16H,5-6,8,10H2,1-4H3,(H2,17,18,19)/b13-9+,14-11+/t15-/m1/s1

IUPAC InChI key

MONZTFSZTWQCKH-UBHHKXJDSA-N
FHP

wwPDB Information

Atom count

47 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned