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Creatine phosphate

CAT: 0926-FC149077-01Size: 0.025 kgDry Ice: NoHazardous: No
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CAT#:0926-FC149077-01Size:0.025 kg
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CAS Number
67-07-2
MDL Number
MFCD00152044
Smiles
CN (CC (=O) O) /C (=N/P (=O) (O) O) /N
Molecular Formula
C4H10N3O5P
Molecular Weight
211.11 g/mol
Controlled
No

Chemical Information

Phosphocreatine

N-phosphocreatine is a phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group. It has a role as a mouse metabolite and a human metabolite. It is a phosphoamino acid and a phosphagen. It is functionally related to a creatine. It is a conjugate acid of a N-phosphocreatinate(2-).

CAS Number67-07-2
PubChem CID9548602
IUPAC Name2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid
Molecular FormulaC4H10N3O5P
Molecular Weight211.11
XLogP-2.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity271
SMILES
CN(CC(=O)O)/C(=N/P(=O)(O)O)/N
InChI
InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
InChIKey
DRBBFCLWYRJSJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphocreatine
CAS: 67-07-2
CID: 9548602
Formula: C4H10N3O5P
MW: 211.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.11
XLogP3-2.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass211.03580743
Monoisotopic Mass211.03580743
Topological Polar Surface Area136 Ų
Heavy Atom Count13
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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