RXY
(7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate
| Created: | 2020-02-28 |
| Last modified: | 2020-11-25 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 123 |
| Chiral Atom Count | 1 |
| Bond Count | 122 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate |
| Systematic Name (OpenEye OEToolkits) | [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-[(~{Z})-hexadec-9-enoyl]oxy-propan-2-yl] (~{Z})-octadec-9-enoate |
| Formula | C39 H74 N O8 P |
| Molecular Weight | 715.981 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCCCCC\C=C/CCCCCCCC(=O)OC(COP(=O)(O)OCCN)COC(=O)CCCCCCC[C@H]=CCCCCCC |
| SMILES | CACTVS | 3.385 | CCCCCCCCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCC)CO[P](O)(=O)OCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCCN |
| Canonical SMILES | CACTVS | 3.385 | CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)CO[P](O)(=O)OCCN |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN |
| InChI | InChI | 1.03 | InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37H,3-13,15,19-36,40H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m1/s1 |
| InChIKey | InChI | 1.03 | RAMNOXDFBNFSFC-AVWHJSSGSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 52924918 |
