3PH

1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE

Created:	2003-07-09
Last modified:	2020-06-05

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82 entries where 3PH is found as a standalone ligand3 entries where 3PH is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	125
Chiral Atom Count	1
Bond Count	124
Aromatic Bond Count	0

2D diagram of 3PH

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Chemical Component Summary
Name	1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE
Synonyms	PHOSPHATIDIC ACID
Systematic Name (OpenEye OEToolkits)	[(2R)-2-octadecanoyloxy-3-phosphonooxy-propyl] octadecanoate
Formula	C₃₉ H₇₇ O₈ P
Molecular Weight	704.998
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI	1.03	InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1
InChIKey	InChI	1.03	YFWHNAWEOZTIPI-DIPNUNPCSA-N

Related Resource References

Resource Name	Reference
PubChem	447938
ChEBI	CHEBI:83774

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