U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H40N2O6S
Molecular Weight 496.66
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of LEUKOTRIENE D4

SMILES

CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O

InChI

InChIKey=YEESKJGWJFYOOK-IJHYULJSSA-N
InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H40N2O6S
Molecular Weight 496.66
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:06:39 UTC 2023
Edited
by admin
on Fri Dec 15 15:06:39 UTC 2023
Record UNII
5FNY4416UE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEUKOTRIENE D4
MI  
Common Name English
S-((1R,2E,4E,6Z,9Z)-1-((1S)-4-CARBOXY-1-HYDROXYBUTYL)-2,4,6,9-PENTADECATETRAENYL)-L-CYSTEINYLGLYCINE
Systematic Name English
GLYCINE, S-((1R,2E,4E,6Z,9Z)-1-((1S)-4-CARBOXY-1-HYDROXYBUTYL)-2,4,6,9-PENTADECATETRAEN-1-YL)-L-CYSTEINYL-
Systematic Name English
LEUKOTRIENE D
Common Name English
LTD4
Common Name English
LEUKOTRIENE D4 [MI]
Common Name English
Code System Code Type Description
CHEBI
28666
Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023
PRIMARY
CAS
73836-78-9
Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023
PRIMARY
FDA UNII
5FNY4416UE
Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023
PRIMARY
NCI_THESAURUS
C180700
Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023
PRIMARY
MERCK INDEX
m6777
Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023
PRIMARY Merck Index
CHEBI
63166
Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023
PRIMARY
DRUG BANK
DB11858
Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023
PRIMARY
PUBCHEM
5280878
Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023
PRIMARY
WIKIPEDIA
Leukotriene D4
Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID6040533
Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Binding Assay
IC50