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LysoPS (C16:1)

CAT: 0013-GTR19279408-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279408-02Size:50 mg
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Description
LysoPS (C16:1) is a lysophosphatidylserine with a carbon chain containing one double bond, represented as 16:1.
CAS Number
1319722-99-0
Smiles
O (C[C@@H] (COC (CCCCCCC/C=C\CCCCCC) =O) O) P (OC[C@@H] (C (O) =O) N) (=O) O
Molecular Formula
C22H42NO9P
Molecular Weight
495.55
Notes
For research use only.

Chemical Information

1-(9Z-hexadecenoyl)-glycero-3-phosphoserine

PS(16:1(9Z)/0:0) is a 1-acyl-sn-glycero-3-phosphoserine.

CAS Number1319722-99-0
PubChem CID52926278
IUPAC Name(2S)-2-amino-3-[[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Molecular FormulaC22H42NO9P
Molecular Weight495.5
XLogP1.1
Topological Polar Surface Area166
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Heavy Atom Count33
Formal Charge0
Complexity600
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/m1/s1
InChIKey
XSJRZJQMAINRKX-KGMDJONISA-N
Chemical Structure
2D Structure
2D structure of 1-(9Z-hexadecenoyl)-glycero-3-phosphoserine
CAS: 1319722-99-0
CID: 52926278
Formula: C22H42NO9P
MW: 495.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight495.5
XLogP31.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Exact Mass495.25971891
Monoisotopic Mass495.25971891
Topological Polar Surface Area166 Ų
Heavy Atom Count33
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes