| Properties | Image |
|---|
| MNX_ID | MNXM157608 |
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| reference | lipidmapsM:LMSP03030135 |
| formula | C60H117NO24P2 |
| global charge | 0 |
| mol weight | 1298.527 |
| InChIKey | XVHREFKNRDANHR-IYIBVXGMSA-N |
| InChI | InChI=1S/C60H117NO24P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-44(63)61-41(42(62)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)39-80-86(76,77)85-59-55(74)51(70)50(69)54(73)58(59)83-60-56(75)46(65)45(64)43(82-60)40-81-87(78,79)84-57-52(71)48(67)47(66)49(68)53(57)72/h41-43,45-60,62,64-75H,3-40H2,1-2H3,(H,61,63)(H,76,77)(H,78,79)/t41-,42+,43+,45+,46-,47-,48-,49+,50-,51-,52+,53+,54+,55+,56-,57-,58+,59-,60+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H117NO24P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-44(63)61-41(42(62)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)39-80-86(76,77)85-59-55(74)51(70)50(69)54(73)58(59)83-60-56(75)46(65)45(64)43(82-60)40-81-87(78,79)84-57-52(71)48(67)47(66)49(68)53(57)72/h41-43,45-60,62,64-75H,3-40H2,1-2H3,(H,61,63)(H,76,77)(H,78,79)/t41-,42+,43+,45+,46-,47-,48-,49+,50-,51-,52+,53+,54+,55+,56-,57-,58+,59-,60+/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][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:44](=[N:61][C@@H:41]([CH2:39][O:80][P:86]([OH:76])(=[O:77])[O:85][C@H:59]1[C@H:55]([OH:74])[C@@H:51]([OH:70])[C@H:50]([OH:69])[C@@H:54]([OH:73])[C@H:58]1[O:83][C@@H:60]1[C@@H:56]([OH:75])[C@@H:46]([OH:65])[C@H:45]([OH:64])[C@@H:43]([CH2:40][O:81][P:87]([OH:78])(=[O:79])[O:84][C@H:57]2[C@H:52]([OH:71])[C@@H:48]([OH:67])[C@H:47]([OH:66])[C@@H:49]([OH:68])[C@H:53]2[OH:72])[O:82]1)[C@@H:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:62])[OH:63] |
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