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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H82O5S2
Molecular Weight 815.302
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 6
Charge 0

SHOW SMILES / InChI
Structure of PPI-1011

SMILES

CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCC[C@@H]1CCSS1)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC

InChI

InChIKey=NGVYBCPIILDCHJ-QNPQWMQQSA-N
InChI=1S/C49H82O5S2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-40-49(51)54-46(45-53-48(50)39-36-35-38-47-41-43-55-56-47)44-52-42-37-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,46-47H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-45H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-/t46-,47-/m1/s1

HIDE SMILES / InChI

Molecular Formula C49H82O5S2
Molecular Weight 815.302
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 6
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:35:11 GMT 2025
Edited
by admin
on Mon Mar 31 23:35:11 GMT 2025
Record UNII
5V51S7839P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PPI-1011
Common Name English
1,2-DITHIOLANE-3-PENTANOIC ACID, (2R)-2-(((4Z,7Z,10Z,13Z,16Z,19Z)-1-OXO-4,7,10,13,16,19-DOCOSAHEXAEN-1-YL)OXY)-3-((1-OXOHEXADECYL)OXY)PROPYL ESTER, (3R)-
Preferred Name English
1,2-DITHIOLANE-3-PENTANOIC ACID, 3-(HEXADECYLOXY)-2-(((4Z,7Z,10Z,13Z,16Z,19Z)-1-OXO-4,7,10,13,16,19-DOCOSAHEXAEN-1-YL)OXY)PROPYL ESTER, (3R)-
Systematic Name English
Code System Code Type Description
CAS
1233733-99-7
Created by admin on Mon Mar 31 23:35:11 GMT 2025 , Edited by admin on Mon Mar 31 23:35:11 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
1395418-56-0
Created by admin on Mon Mar 31 23:35:11 GMT 2025 , Edited by admin on Mon Mar 31 23:35:11 GMT 2025
PRIMARY
PUBCHEM
71732146
Created by admin on Mon Mar 31 23:35:11 GMT 2025 , Edited by admin on Mon Mar 31 23:35:11 GMT 2025
PRIMARY
FDA UNII
5V51S7839P
Created by admin on Mon Mar 31 23:35:11 GMT 2025 , Edited by admin on Mon Mar 31 23:35:11 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY