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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C47H71NO10P.Ca
Molecular Weight	1722.16
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	20
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

[Ca++].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OC[C@H](N)C(O)=O.CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OC[C@H](N)C(O)=O

InChI

InChIKey=WQHSICGELLFGCC-JCYCRQSBSA-L

InChI=1S/2C47H72NO10P.Ca/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-46(50)58-43(41-56-59(53,54)57-42-44(48)47(51)52)40-55-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*5-8,11-14,17-20,23-26,29-32,43-44H,3-4,9-10,15-16,21-22,27-28,33-42,48H2,1-2H3,(H,51,52)(H,53,54);/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-;/t2*43-,44+;/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	C47H71NO10P
Molecular Weight	841.0411
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	10
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:41:47 GMT 2023` Edited by `admin` on `Fri Dec 15 16:41:47 GMT 2023`
Record UNII	9ABD9DRK7B
Record Status	`Validated (UNII)`
Record Version

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Language

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

Common Name

English

CALCIUM SALT OF 1,2-ICOSAPENTOYL-SN-GLYCERO-3-PHOSPHOSERINE CALCIUM

Common Name

English

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DBSALT002729