| Properties | Image |
|---|
| MNX_ID | MNXM531687 |
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| reference | metacycM:CPD-16395 |
| formula | C54H105NO19P |
| global charge | -1 |
| mol weight | 1103.396 |
| InChIKey | YQMSFXBUDJRUEI-HKIMYPFESA-M |
| InChI | InChI=1S/C54H106NO19P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(58)43(60)53(68)55-38(42(59)39(57)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-71-75(69,70)74-52-49(66)47(64)46(63)48(65)51(52)73-54-50(67)45(62)44(61)41(36-56)72-54/h38-52,54,56-67H,3-37H2,1-2H3,(H,55,68)(H,69,70)/p-1/t38-,39+,40+,41+,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,54?/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](O)C(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H106NO19P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(58)43(60)53(68)55-38(42(59)39(57)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-71-75(69,70)74-52-49(66)47(64)46(63)48(65)51(52)73-54-50(67)45(62)44(61)41(36-56)72-54/h38-52,54,56-67H,3-37H2,1-2H3,(H,55,68)(H,69,70)/t38-,39+,40+,41+,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,54?/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C@H:40]([C@@H:43]([C:53](=[N:55][C@@H:38]([CH2:37][O:71][P:75]([OH:69])(=[O:70])[O:74][C@@H:52]1[C@H:49]([OH:66])[C@H:47]([OH:64])[C@@H:46]([OH:63])[C@H:48]([OH:65])[C@H:51]1[O:73][CH:54]1[C@@H:50]([OH:67])[C@@H:45]([OH:62])[C@H:44]([OH:61])[C@@H:41]([CH2:36][OH:56])[O:72]1)[C@@H:42]([C@@H:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:59])[OH:68])[OH:60])[OH:58] |
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