Chemical Components in the PDB

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V1W : Summary

Code

V1W

One-letter code

X

Molecule name

v-coelenterazine

Systematic names

Not Assigned

Formula

C28 H21 N3 O5

Formal charge

0

Molecular weight

479.483 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OO[C]1(Cc2ccc(O)cc2)N=C3N(C1=O)c4ccc5cc(O)ccc5c4N=C3Cc6ccccc6
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=NC(C5=O)(Cc6ccc(cc6)O)OO)O
Canonical SMILES CACTVS 3.385 OO[C@]1(Cc2ccc(O)cc2)N=C3N(C1=O)c4ccc5cc(O)ccc5c4N=C3Cc6ccccc6
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=N[C@@](C5=O)(Cc6ccc(cc6)O)OO)O

IUPAC InChI

InChI=1S/C28H21N3O5/c32-20-9-6-18(7-10-20)16-28(36-35)27(34)31-24-13-8-19-15-21(33)11-12-22(19)25(24)29-23(26(31)30-28)14-17-4-2-1-3-5-17/h1-13,15,32-33,35H,14,16H2/t28-/m0/s1

IUPAC InChI key

ZSLLQPODRCGPLM-NDEPHWFRSA-N
V1W

wwPDB Information

Atom count

57 (36 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-04-06

Last modified at

2022-02-04

Status

Released

Obsoleted

Not Assigned