1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOSERINE CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C50H73NO10P.Ca
Molecular Weight	1798.256
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	24
Charge	0

SHOW SMILES / InChI

Structure of 1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOSERINE CALCIUM

Structure Search

SMILES

[Ca++].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)OC[C@H](N)C(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC.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)OC[C@H](N)C(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC

InChI

InChIKey=YTMBNDPMRXSRSP-QYSNLLAGSA-L

InChI=1S/2C50H74NO10P.Ca/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*5-8,11-14,17-20,23-26,29-32,35-38,46-47H,3-4,9-10,15-16,21-22,27-28,33-34,39-45,51H2,1-2H3,(H,54,55)(H,56,57);/q;;+2/p-2/b2*7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-;/t2*46-,47+;/m11./s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C50H73NO10P
Molecular Weight	879.0891
Charge	-1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:27:02 GMT 2023` Edited by `admin` on `Fri Dec 15 17:27:02 GMT 2023`
Record UNII	6WJM73T46K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOSERINE CALCIUM

Common Name

English

CALCIUM SALT OF 1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOSERINE (1:1)

Common Name

English

Code System Code Type Description

FDA UNII

6WJM73T46K