U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H73NO10P.Na
Molecular Weight 781.9719
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHO-L-SERINE SODIUM

SMILES

[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC

InChI

InChIKey=WPLLCKLCLMRAPV-WHVRKWPVSA-M
InChI=1S/C40H74NO10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h11,13,17-18,36-37H,3-10,12,14-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47);/q;+1/p-1/b13-11-,18-17-;/t36-,37+;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C40H73NO10P
Molecular Weight 758.9821
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:16:12 GMT 2023
Edited
by admin
on Sat Dec 16 16:16:12 GMT 2023
Record UNII
S368KI4BJ9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHO-L-SERINE SODIUM
Common Name English
4,6,9-TRIOXA-5-PHOSPHAHEPTACOSA-18,21-DIENOIC ACID, 2-AMINO-5-HYDROXY-10-OXO-8-(((1-OXOHEXADECYL)OXY)METHYL)-, 5-OXIDE, (2S,8R,18Z,21Z)-, SODIUM
Systematic Name English
Code System Code Type Description
PUBCHEM
46891801
Created by admin on Sat Dec 16 16:16:12 GMT 2023 , Edited by admin on Sat Dec 16 16:16:12 GMT 2023
PRIMARY
FDA UNII
S368KI4BJ9
Created by admin on Sat Dec 16 16:16:12 GMT 2023 , Edited by admin on Sat Dec 16 16:16:12 GMT 2023
PRIMARY
CAS
384833-20-9
Created by admin on Sat Dec 16 16:16:12 GMT 2023 , Edited by admin on Sat Dec 16 16:16:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE