1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H80NO8P
Molecular Weight	878.1673
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	12
Charge	0

SHOW SMILES / InChI

Structure of 1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Structure Search

SMILES

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

InChI

InChIKey=XLKQWAMTMYIQMG-SVUPRYTISA-N

InChI=1S/C52H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,50H,6-7,12-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C52H80NO8P
Molecular Weight	878.1673
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	12
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:48:14 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:14 GMT 2025`
Record UNII	T82NM81DCA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,5,9-TRIOXA-4-PHOSPHAHENTRIACONTA-13,16,19,22,25,28-HEXAEN-1-AMINIUM, 4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-(((4Z,7Z,10Z,13Z,16Z,19Z)-1-OXO-4,7,10,13,16,19-DOCOSAHEXAENYL)OXY)-, INNER SALT, 4-OXIDE, (7R,13Z,16Z,19Z,22Z,25Z,28Z)-

Preferred Name

English

1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Common Name

English

Code System Code Type Description

PUBCHEM

24779134

Created by admin on Mon Mar 31 21:48:14 GMT 2025 , Edited by admin on Mon Mar 31 21:48:14 GMT 2025

PRIMARY

FDA UNII

T82NM81DCA

Created by admin on Mon Mar 31 21:48:14 GMT 2025 , Edited by admin on Mon Mar 31 21:48:14 GMT 2025

PRIMARY

CAS

99296-81-8

Created by admin on Mon Mar 31 21:48:14 GMT 2025 , Edited by admin on Mon Mar 31 21:48:14 GMT 2025

PRIMARY

Related Record Type Details


					T82NM81DCA

1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

ACTIVE MOIETY