Chemical Components in the PDB

pdbe.org/chem
spacer

LAN : Summary

Code

LAN

One-letter code

X

Molecule name

LANOSTEROL

Systematic names

ProgramVersionName
ACDLabs 10.04 (3beta)-lanosta-8,24-dien-3-ol
OpenEye OEToolkits 1.5.0 (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Formula

C30 H50 O

Formal charge

0

Molecular weight

426.717 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC4C(C3CCC1=C(CCC2(C(C(C)CC\C=C(/C)C)CCC12C)C)C3(C)CC4)(C)C
SMILES CACTVS 3.341 C[CH](CCC=C(C)C)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3
SMILES OpenEye OEToolkits 1.5.0 CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
Canonical SMILES CACTVS 3.341 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

IUPAC InChI

InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1

IUPAC InChI key

CAHGCLMLTWQZNJ-BQNIITSRSA-N
LAN

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

2004-08-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned