Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009154
PROPERTIES
| NPAID | NPA009154 |
|---|---|
| CLUSTER ID | 36 |
| NODE ID | 35 |
| NAME | Beta-Glcp-(1-->6)-beta-Glcp-(1-->6)-beta-GlcpNAcyl-(1-->2)-alpha-Glcp-(1-->1)-glycerol diester |
| FORMULA | C72H133NO25 |
| MOLECULAR WEIGHT (Da) | 1412.8380 |
| ACCURATE MASS (Da) | 1411.9167 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thermus |
| ORIGIN SPECIES | oshimai NTU-063 |
| InChIKey | XNGQGXKXJGVOCC-RAEDGPRDSA-N |
| InChI | InChI=1S/C72H133NO25/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-54(76)73-57-62(83)60(81)52(47-92-71-67(88)64(85)61(82)53(97-71)48-91-70-66(87)63(84)58(79)50(43-74)94-70)96-69(57)98-68-65(86)59(80)51(44-75)95-72(68)90-46-49(93-56(78)42-39-36-33-30-27-24-21-18-15-12-9-6-3)45-89-55(77)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49-53,57-72,74-75,79-88H,4-48H2,1-3H3,(H,73,76)/t49?,50-,51-,52-,53-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66-,67-,68-,69+,70-,71-,72-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC)CO)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lu, Tzu-Li; Chen, Chien-Sheng; Yang, Feng-Ling; Fung, Jim-Min; Chen, Mao-Yen; Tsay, San-San; Li, Jianjun; Zou, Wei; Wu, Shih-Hsiung Structure of a major glycolipid from Thermus oshimai NTU-063 Carbohydrate Research 2004 339 (15) 2593-2598. | ||
|---|---|---|---|
| DOI | 10.1016/j.carres.2004.08.002 | PMID | 15476720 |
