Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012655
PROPERTIES
| NPAID | NPA012655 |
|---|---|
| CLUSTER ID | 585 |
| NODE ID | 521 |
| NAME | 1-O-TBSA-2-O-palmitoyl-sn-phospholipid |
| FORMULA | C40H80NO8P |
| MOLECULAR WEIGHT (Da) | 734.0530 |
| ACCURATE MASS (Da) | 733.5622 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Mycobacterium |
| ORIGIN SPECIES | tuberculosis |
| InChIKey | DKXLAGNEXVNABN-XPSQVAKYSA-N |
| InChI | InChI=1S/C40H80NO8P/c1-4-6-8-10-12-13-14-15-16-17-18-24-28-32-40(43)49-38(36-48-50(44,45)47-34-33-41)35-46-39(42)31-27-23-20-19-22-26-30-37(3)29-25-21-11-9-7-5-2/h37-38H,4-36,41H2,1-3H3,(H,44,45)/t37-,38-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)OCCN |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ter Horst, Bjorn; Seshadri, Chetan; Sweet, Lindsay; Young, David C; Feringa, Ben L; Moody, D Branch; Minnaard, Adriaan J Asymmetric synthesis and structure elucidation of a glycerophospholipid from Mycobacterium tuberculosis Journal of Lipid Research 2010 51 (5) 1017-1022. | ||
|---|---|---|---|
| DOI | 10.1194/jlr.m001982 | PMID | 19965610 |
