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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H76N7O17P3S
Molecular Weight 1088.087
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Erucyl coenzyme A

SMILES

CCCCCCCCC=CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23

InChI

InChIKey=OWGHRDKRIGXBJM-KHBSILFQSA-N
InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,30-32,36-38,42,53-54H,4-10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b12-11+/t32-,36-,37-,38+,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula C43H76N7O17P3S
Molecular Weight 1088.087
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:20:00 GMT 2023
Edited
by admin
on Sat Dec 16 11:20:00 GMT 2023
Record UNII
JF6P37JV6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Erucyl coenzyme A
Common Name English
Erucyl CoA
Common Name English
Coenzyme A, S-(13Z)-13-docosenoate
Common Name English
Erucoyl coenzyme A
Common Name English
Erucoyl-CoA
Common Name English
Code System Code Type Description
PUBCHEM
166177178
Created by admin on Sat Dec 16 11:20:00 GMT 2023 , Edited by admin on Sat Dec 16 11:20:00 GMT 2023
PRIMARY
FDA UNII
JF6P37JV6N
Created by admin on Sat Dec 16 11:20:00 GMT 2023 , Edited by admin on Sat Dec 16 11:20:00 GMT 2023
PRIMARY
CAS
24330-90-3
Created by admin on Sat Dec 16 11:20:00 GMT 2023 , Edited by admin on Sat Dec 16 11:20:00 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY