Chemical Components in the PDB

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VIV : Summary

Code

VIV

One-letter code

X

Molecule name

(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
OpenEye OEToolkits 1.5.0 (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol

Formula

C29 H50 O2

Formal charge

0

Molecular weight

430.706 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc2c(c(c1OC(CCc1c2C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C
SMILES CACTVS 3.341 CC(C)CCC[CH](C)CCC[CH](C)CCC[C]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
SMILES OpenEye OEToolkits 1.5.0 Cc1c(c2c(c(c1O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C
Canonical SMILES CACTVS 3.341 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C

IUPAC InChI

InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1

IUPAC InChI key

GVJHHUAWPYXKBD-IEOSBIPESA-N
VIV

wwPDB Information

Atom count

81 (31 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-11-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned