| Properties | Image |
|---|
| MNX_ID | MNXM157621 |
 |
| reference | lipidmapsM:LMSP03030106 |
| formula | C60H117NO26P2 |
| global charge | 0 |
| mol weight | 1330.525 |
| InChIKey | JNTPDJPEDWWEHF-WEBOXXNBSA-N |
| InChI | InChI=1S/C60H117NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(63)59(77)61-39(43(64)40(62)35-33-31-29-27-25-16-14-12-10-8-6-4-2)37-82-88(78,79)87-58-54(75)50(71)49(70)53(74)57(58)85-60-55(76)45(66)44(65)42(84-60)38-83-89(80,81)86-56-51(72)47(68)46(67)48(69)52(56)73/h39-58,60,62-76H,3-38H2,1-2H3,(H,61,77)(H,78,79)(H,80,81)/t39-,40+,41?,42+,43-,44+,45-,46-,47-,48+,49-,50-,51+,52+,53+,54+,55-,56-,57+,58-,60+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCC(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/C60H117NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(63)59(77)61-39(43(64)40(62)35-33-31-29-27-25-16-14-12-10-8-6-4-2)37-82-88(78,79)87-58-54(75)50(71)49(70)53(74)57(58)85-60-55(76)45(66)44(65)42(84-60)38-83-89(80,81)86-56-51(72)47(68)46(67)48(69)52(56)73/h39-58,60,62-76H,3-38H2,1-2H3,(H,61,77)(H,78,79)(H,80,81)/t39-,40+,41?,42+,43-,44+,45-,46-,47-,48+,49-,50-,51+,52+,53+,54+,55-,56-,57+,58-,60+/m0/s1 |
 |
| 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][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH:41]([C:59](=[N:61][C@@H:39]([CH2:37][O:82][P:88]([OH:78])(=[O:79])[O:87][C@H:58]1[C@H:54]([OH:75])[C@@H:50]([OH:71])[C@H:49]([OH:70])[C@@H:53]([OH:74])[C@H:57]1[O:85][C@@H:60]1[C@@H:55]([OH:76])[C@@H:45]([OH:66])[C@H:44]([OH:65])[C@@H:42]([CH2:38][O:83][P:89]([OH:80])(=[O:81])[O:86][C@H:56]2[C@H:51]([OH:72])[C@@H:47]([OH:68])[C@H:46]([OH:67])[C@@H:48]([OH:69])[C@H:52]2[OH:73])[O:84]1)[C@@H:43]([C@@H:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:62])[OH:64])[OH:77])[OH:63] |
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