CARDIOLIPIN

Details

Stereochemistry	EPIMERIC
Molecular Formula	C81H141O17P2
Molecular Weight	1448.9236
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	8
Charge	-1

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](COP(O)(=O)OCC(O)COP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC

InChI

InChIKey=LSHJMDWWJIYXEM-PJUQVPPJSA-M

InChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,75-77,82H,5-20,29-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/p-1/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-/t75?,76-,77+

HIDE SMILES / InChI

Molecular Formula	C81H141O17P2
Molecular Weight	1448.9236
Charge	-1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	8
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:12:55 GMT 2023` Edited by `admin` on `Sat Dec 16 19:12:55 GMT 2023`
Record UNII	426GYL3W7H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CARDIOLIPIN

Common Name

English

Classification Tree Code System Code

LOINC

2040-4