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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H68N7O17P3S
Molecular Weight 1031.98
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Oleyl coenzyme A

SMILES

[H][C@]1(O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/CCCCCCCC)[C@@H](OP(O)(O)=O)[C@H]1O)N2C=NC3=C(N)N=CN=C23

InChI

InChIKey=XDUHQPOXLUAVEE-BPMMELMSSA-N
InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Oleyl coenzyme A
Common Name English
9-Octadecenoyl-CoA
Common Name English
Coenzyme A, S-(9Z)-9-octadecenoate
Common Name English
Oleoyl coenzyme A
Common Name English
Oleoyl-CoA
Common Name English
Coenzyme A cis-9-octadecenoate
Common Name English
9-Octadecenoyl-coenzyme A
Common Name English
Oleyl-CoA
Common Name English
Coenzyme A oleate
Common Name English
Code System Code Type Description
FDA UNII
SPV646A327
Created by admin on Sat Dec 16 09:08:07 GMT 2023 , Edited by admin on Sat Dec 16 09:08:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID601318533
Created by admin on Sat Dec 16 09:08:07 GMT 2023 , Edited by admin on Sat Dec 16 09:08:07 GMT 2023
PRIMARY
PUBCHEM
5497111
Created by admin on Sat Dec 16 09:08:07 GMT 2023 , Edited by admin on Sat Dec 16 09:08:07 GMT 2023
PRIMARY
CAS
1716-06-9
Created by admin on Sat Dec 16 09:08:07 GMT 2023 , Edited by admin on Sat Dec 16 09:08:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-998-8
Created by admin on Sat Dec 16 09:08:07 GMT 2023 , Edited by admin on Sat Dec 16 09:08:07 GMT 2023
PRIMARY