GD153033

Name:

(Kdo)2-Lipid Iva

Formula:

C84H154O37N2P2

Smiles:

CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(COC2OC(COC3(C(=O)O)CC(OC4(C(=O)O)CC(O)C(O)C(C(O)CO)O4)C(O)C(C(O)CO)O3)C(OP(=O)(O)O)C(OC(=O)CC(O)CCCCCCCCCCC)C2N=C(O)CC(O)CCCCCCCCCCC)OC(OP(=O)(O)O)C1N=C(O)CC(O)CCCCCCCCCCC

Aglycone:

CCCCCCCCCCCC(O)CC(=N)O.CCCCCCCCCCCC(O)CC(=N)O.CCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(O)CC(=O)O.O=P(O)(O)O.O=P(O)(O)O

Sugarmoiety:

O=C(O)C1(OC2CC(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)(C(=O)O)OC(C(O)CO)C2O)CC(O)C(O)C(C(O)CO)O1

Other Identifiers

• CNP0180907

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

AD48216

Formula: C14H29O2N

Smiles:

CCCCCCCCCCCC(O)CC(=N)O

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	0.93
AlogP:	4.19	Num_rotatable_bonds:	12
MolWt:	243.39	Num_heavy_atoms:	17
TPSA:	64.31	NumAromaticRings:	0