Phosphocreatine
2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid
Molecular Identity
Phosphocreatine
2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid
PubChem CID: 9548602
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-).
2D Structure
Properties
C4H10N3O5P
Molecular Formula
211.11
Molecular Weight
g/mol
211.0358
Exact Mass
Da
-2.6
XLogP
Drug-like (Lipinski: < 5)
136
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
271
Complexity
SMILES
Canonical SMILES
SMILES: CN(CC(=O)O)C(=NP(=O)(O)O)NIsomeric SMILES
SMILES: CN(CC(=O)O)/C(=N/P(=O)(O)O)/NSynonyms(20)
phosphocreatineCreatine phosphatephosphorylcreatineN-phosphocreatinefosfocreatinecreatine-P67-07-2N-PhosphorylcreatineN-(Phosphonoamidino)sarcosinePhosphagenCreatinephosphoric acidCreatine phosphic acidN-(N-Phosphonoamido)sarcosine020IUV4N33Glycine, N-(imino(phosphonoamino)methyl)-N-methyl-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phosphocreatine
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