| Properties | Image |
|---|
| MNX_ID | MNXM157619 |
 |
| reference | lipidmapsM:LMSP03030105 |
| formula | C58H113NO26P2 |
| global charge | 0 |
| mol weight | 1302.471 |
| InChIKey | GUAMOSULCVWSNT-RKIDKZKNSA-N |
| InChI | InChI=1S/C58H113NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(61)57(75)59-37(41(62)38(60)33-31-29-27-25-23-16-14-12-10-8-6-4-2)35-80-86(76,77)85-56-52(73)48(69)47(68)51(72)55(56)83-58-53(74)43(64)42(63)40(82-58)36-81-87(78,79)84-54-49(70)45(66)44(65)46(67)50(54)71/h37-56,58,60-74H,3-36H2,1-2H3,(H,59,75)(H,76,77)(H,78,79)/t37-,38+,39?,40+,41-,42+,43-,44-,45-,46+,47-,48-,49+,50+,51+,52+,53-,54-,55+,56-,58+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCC(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]1O[C@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H113NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(61)57(75)59-37(41(62)38(60)33-31-29-27-25-23-16-14-12-10-8-6-4-2)35-80-86(76,77)85-56-52(73)48(69)47(68)51(72)55(56)83-58-53(74)43(64)42(63)40(82-58)36-81-87(78,79)84-54-49(70)45(66)44(65)46(67)50(54)71/h37-56,58,60-74H,3-36H2,1-2H3,(H,59,75)(H,76,77)(H,78,79)/t37-,38+,39?,40+,41-,42+,43-,44-,45-,46+,47-,48-,49+,50+,51+,52+,53-,54-,55+,56-,58+/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][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH:39]([C:57](=[N:59][C@@H:37]([CH2:35][O:80][P:86]([OH:76])(=[O:77])[O:85][C@H:56]1[C@H:52]([OH:73])[C@@H:48]([OH:69])[C@H:47]([OH:68])[C@@H:51]([OH:72])[C@H:55]1[O:83][C@@H:58]1[C@@H:53]([OH:74])[C@@H:43]([OH:64])[C@H:42]([OH:63])[C@@H:40]([CH2:36][O:81][P:87]([OH:78])(=[O:79])[O:84][C@H:54]2[C@H:49]([OH:70])[C@@H:45]([OH:66])[C@H:44]([OH:65])[C@@H:46]([OH:67])[C@H:50]2[OH:71])[O:82]1)[C@@H:41]([C@@H:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:60])[OH:62])[OH:75])[OH:61] |
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