Chemical Components in the PDB

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Y77 : Summary

Code

Y77

One-letter code

X

Molecule name

[(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate

Formula

C6 H13 N3 O4 P

Formal charge

0

Molecular weight

222.159 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(CCN=[N]=N)=CCO[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(=CCOP(=O)(O)O)CCN=[N]=N
Canonical SMILES CACTVS 3.385 C\C(CCN=[N]=N)=C\CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C/C(=C/COP(=O)(O)O)/CCN=[N]=N

IUPAC InChI

InChI=1S/C6H13N3O4P/c1-6(2-4-8-9-7)3-5-13-14(10,11)12/h3,7H,2,4-5H2,1H3,(H2,10,11,12)/b6-3-

IUPAC InChI key

SCRLLCVSAUXFQL-UTCJRWHESA-N
Y77

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-02-09

Last modified at

2021-12-17

Status

Released

Obsoleted

Not Assigned