9-Octadecenoic acid (9Z)-, (1R)-1-[12-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl]-1,2-ethanediyl ester, sodium salt (1:1)
CAS Registry Number®
CAS Name
9-Octadecenoic acid (9Z)-, (1R)-1-[12-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl]-1,2-ethanediyl ester, sodium salt (1:1)Molecular Formula
C51H92N3O10PS.NaCite this Page
9-Octadecenoic acid (9Z)-, (1R)-1-[12-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl]-1,2-ethanediyl ester, sodium salt (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=384835-53-4 (retrieved ) (CAS RN: 384835-53-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C51H92N3O10PS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-48(56)61-41-44(64-49(57)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42-63-65(59,60)62-40-39-52-47(55)36-34-33-35-46-50-45(43-66-46)53-51(58)54-50;/h17-20,44-46,50H,3-16,21-43H2,1-2H3,(H,52,55)(H,59,60)(H2,53,54,58);/b19-17-,20-18-;/t44-,45+,46+,50+;/m1./s1
InChIKey
InChIKey=BQZBJHZLJJOUSL-AOAFAMOJSA-N
SMILES
C(CCCC(NCCOP(OC[C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)(=O)O)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H].[Na]
Canonical SMILES
[Na].O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCNC(=O)CCCCC1SCC2NC(=O)NC12)CCCCCCCC=CCCCCCCCC
Other Names for this Substance
- 9-Octadecenoic acid (9Z)-, (1R)-1-[12-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl]-1,2-ethanediyl ester, sodium salt (1:1)
- 9-Octadecenoic acid (9Z)-, (1R)-1-[12-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl]-1,2-ethanediyl ester, monosodium salt
- DOPE-biotin
Deleted or Replaced CAS Registry Numbers
914459-96-4