PC1

1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Created:	2003-07-09
Last modified:	2021-03-01

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354 entries where PC1 is found as a standalone ligand12 entries where PC1 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	142
Chiral Atom Count	1
Bond Count	141
Aromatic Bond Count	0

2D diagram of PC1

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Chemical Component Summary
Name	1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Synonyms	3-SN-PHOSPHATIDYLCHOLINE
Systematic Name (OpenEye OEToolkits)	[(2R)-2,3-di(octadecanoyloxy)propyl] 2-trimethylazaniumylethyl phosphate
Formula	C₄₄ H₈₈ N O₈ P
Molecular Weight	790.145
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI	1.03	InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
InChIKey	InChI	1.03	NRJAVPSFFCBXDT-HUESYALOSA-N

Related Resource References

Resource Name	Reference
PubChem	94190
ChEBI	CHEBI:83718

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