GD150379

Name:

Palmitoyllipid A

Formula:

C110H208O26N2P2

Smiles:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(O)=NC1C(OP(=O)(O)O)OC(COC2OC(CO)C(OP(=O)(O)O)C(OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C2N=C(O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(O)C1OC(=O)CC(O)CCCCCCCCCCC

Aglycone:

CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=N)O.CCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O.CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=N)O.O=P(O)(O)O.O=P(O)(O)O

Sugarmoiety:

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0082296

AD00019

Formula: H3O4P

Smiles:

O=P(O)(O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.93	Num_rotatable_bonds:	0
MolWt:	97.99	Num_heavy_atoms:	5
TPSA:	77.76	NumAromaticRings:	0

AD00507

Formula: C14H28O3

Smiles:

CCCCCCCCCCCC(O)CC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.93
AlogP:	3.74	Num_rotatable_bonds:	12
MolWt:	244.37	Num_heavy_atoms:	17
TPSA:	57.53	NumAromaticRings:	0

AD00509

Formula: C28H54O4

Smiles:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.93
AlogP:	8.99	Num_rotatable_bonds:	25
MolWt:	454.74	Num_heavy_atoms:	32
TPSA:	63.6	NumAromaticRings:	0

AD47634

Formula: C26H51O3N

Smiles:

CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=N)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.92
AlogP:	8.67	Num_rotatable_bonds:	23
MolWt:	425.7	Num_heavy_atoms:	30
TPSA:	70.38	NumAromaticRings:	0

AD60075

Formula: C30H59O3N

Smiles:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=N)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.93
AlogP:	10.23	Num_rotatable_bonds:	27
MolWt:	481.81	Num_heavy_atoms:	34
TPSA:	70.38	NumAromaticRings:	0