Erucyl coenzyme A

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 Search

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=C2N=CN=C3N

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 `Tue Apr 01 16:20:54 GMT 2025` Edited by `admin` on `Tue Apr 01 16:20:54 GMT 2025`
Record UNII	JF6P37JV6N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Erucyl coenzyme A

Common Name

English

Coenzyme A, S-(13Z)-13-docosenoate

Preferred Name

English

Erucyl CoA

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 Tue Apr 01 16:20:54 GMT 2025 , Edited by admin on Tue Apr 01 16:20:54 GMT 2025

PRIMARY

FDA UNII

JF6P37JV6N

Created by admin on Tue Apr 01 16:20:54 GMT 2025 , Edited by admin on Tue Apr 01 16:20:54 GMT 2025

PRIMARY

CAS

24330-90-3

Created by admin on Tue Apr 01 16:20:54 GMT 2025 , Edited by admin on Tue Apr 01 16:20:54 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY