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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H84NO8P
Molecular Weight 834.1562
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 6
Charge 0

SHOW SMILES / InChI
Structure of 1-STEAROYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C

InChI

InChIKey=AHWXJDWBIIDPKS-TZUVPVEASA-N
InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,28,30,34,36,46H,6-7,9,11-13,15,17-19,21,23,26-27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,30-28-,36-34-/t46-/m1/s1

HIDE SMILES / InChI

Molecular Formula C48H84NO8P
Molecular Weight 834.1562
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 6
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:13:31 GMT 2023
Edited
by admin
on Sat Dec 16 09:13:31 GMT 2023
Record UNII
CPA32HL3CX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-STEAROYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Common Name English
1-OCTADECANOYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Common Name English
3,5,9-TRIOXA-4-PHOSPHAHENTRIACONTA-13,16,19,22,25,28-HEXAEN-1-AMINIUM, 4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-((1-OXOOCTADECYL)OXY)-, INNER SALT, 4-OXIDE, (R-(ALL-Z))-
Systematic Name English
Code System Code Type Description
FDA UNII
CPA32HL3CX
Created by admin on Sat Dec 16 09:13:31 GMT 2023 , Edited by admin on Sat Dec 16 09:13:31 GMT 2023
PRIMARY
CAS
99264-99-0
Created by admin on Sat Dec 16 09:13:31 GMT 2023 , Edited by admin on Sat Dec 16 09:13:31 GMT 2023
PRIMARY
PUBCHEM
52923691
Created by admin on Sat Dec 16 09:13:31 GMT 2023 , Edited by admin on Sat Dec 16 09:13:31 GMT 2023
PRIMARY